smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000000730315 551539409 /nfs/dbraw/zinc/53/94/09/551539409.db2.gz KOPLJUDZTQEUAR-VWLOTQADSA-N 0 1 533.606 3.653 50 30 KHEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000000730317 551539416 /nfs/dbraw/zinc/53/94/16/551539416.db2.gz KOPLJUDZTQEUAR-RUZDIDTESA-N 0 1 533.606 3.653 50 30 KHEAMN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1cccs1 ZINC000000730318 551539385 /nfs/dbraw/zinc/53/93/85/551539385.db2.gz WVTBBLXWBHEHAT-QFIPXVFZSA-N 0 1 509.609 3.706 50 30 KHEAMN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccs1 ZINC000000730319 551539364 /nfs/dbraw/zinc/53/93/64/551539364.db2.gz WVTBBLXWBHEHAT-JOCHJYFZSA-N 0 1 509.609 3.706 50 30 KHEAMN COc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C(=O)C(=O)N2Cc2ccco2)cc1OC ZINC000001099075 551608187 /nfs/dbraw/zinc/60/81/87/551608187.db2.gz FNTYDAKGAMZTMZ-VWLOTQADSA-N 0 1 552.605 3.860 50 30 KHEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C(=O)C(=O)N2Cc2ccco2)cc1OC ZINC000001099076 551608237 /nfs/dbraw/zinc/60/82/37/551608237.db2.gz FNTYDAKGAMZTMZ-RUZDIDTESA-N 0 1 552.605 3.860 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(F)cc2)nc1C ZINC000001105741 551609931 /nfs/dbraw/zinc/60/99/31/551609931.db2.gz CZDCMHOITSRTFM-IBGZPJMESA-N 0 1 510.499 3.931 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(F)cc2)nc1C ZINC000001105742 551609896 /nfs/dbraw/zinc/60/98/96/551609896.db2.gz CZDCMHOITSRTFM-LJQANCHMSA-N 0 1 510.499 3.931 50 30 KHEAMN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(F)cc1 ZINC000001105743 551609940 /nfs/dbraw/zinc/60/99/40/551609940.db2.gz WZIQIADHFBBLAQ-DEOSSOPVSA-N 0 1 521.570 3.784 50 30 KHEAMN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(F)cc1 ZINC000001105744 551609797 /nfs/dbraw/zinc/60/97/97/551609797.db2.gz WZIQIADHFBBLAQ-XMMPIXPASA-N 0 1 521.570 3.784 50 30 KHEAMN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)C1C(=O)C(=O)N(Cc2ccncc2)[C@H]1c1ccc(F)cc1 ZINC000001105749 551610188 /nfs/dbraw/zinc/61/01/88/551610188.db2.gz GLROGWQGWYOGQD-DEOSSOPVSA-N 0 1 521.570 3.784 50 30 KHEAMN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)C1C(=O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccc(F)cc1 ZINC000001105750 551610181 /nfs/dbraw/zinc/61/01/81/551610181.db2.gz GLROGWQGWYOGQD-XMMPIXPASA-N 0 1 521.570 3.784 50 30 KHEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000001105753 551610079 /nfs/dbraw/zinc/61/00/79/551610079.db2.gz JXEBGAPNFDAKMP-FQEVSTJZSA-N 0 1 513.572 3.850 50 30 KHEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000001105754 551610113 /nfs/dbraw/zinc/61/01/13/551610113.db2.gz JXEBGAPNFDAKMP-HXUWFJFHSA-N 0 1 513.572 3.850 50 30 KHEAMN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(Cl)c(Cl)c2)c1C ZINC000001110835 551611063 /nfs/dbraw/zinc/61/10/63/551611063.db2.gz DPJUXXJCUGIQJP-NRFANRHFSA-N 0 1 536.412 3.635 50 30 KHEAMN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)c1C ZINC000001110836 551611056 /nfs/dbraw/zinc/61/10/56/551611056.db2.gz DPJUXXJCUGIQJP-OAQYLSRUSA-N 0 1 536.412 3.635 50 30 KHEAMN NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccccc2)cc1 ZINC000001219757 551627565 /nfs/dbraw/zinc/62/75/65/551627565.db2.gz YTOUZNWDICQZIG-FQEVSTJZSA-N 0 1 513.369 3.879 50 30 KHEAMN NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccccc2)cc1 ZINC000001219758 551627646 /nfs/dbraw/zinc/62/76/46/551627646.db2.gz YTOUZNWDICQZIG-HXUWFJFHSA-N 0 1 513.369 3.879 50 30 KHEAMN Cc1c(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(Br)cc2)cnn1-c1ccccc1 ZINC000001451560 552077994 /nfs/dbraw/zinc/07/79/94/552077994.db2.gz STNLCOOUTXPFIH-DEOSSOPVSA-N 0 1 551.441 3.854 50 30 KHEAMN Cc1c(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(Br)cc2)cnn1-c1ccccc1 ZINC000001451561 552078012 /nfs/dbraw/zinc/07/80/12/552078012.db2.gz STNLCOOUTXPFIH-XMMPIXPASA-N 0 1 551.441 3.854 50 30 KHEAMN CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000001469798 551680154 /nfs/dbraw/zinc/68/01/54/551680154.db2.gz PTPUIOSNPCLOLL-QFIPXVFZSA-N 0 1 511.987 3.764 50 30 KHEAMN CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000001469799 551680097 /nfs/dbraw/zinc/68/00/97/551680097.db2.gz PTPUIOSNPCLOLL-JOCHJYFZSA-N 0 1 511.987 3.764 50 30 KHEAMN C=CCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1I ZINC000002080467 551751306 /nfs/dbraw/zinc/75/13/06/551751306.db2.gz RAGJSQULRSWWIH-GDNBJRDFSA-N 0 1 508.312 3.826 50 30 KHEAMN COc1ccccc1NC(=S)NN=Cc1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1 ZINC000002636776 1066536789 /nfs/dbraw/zinc/53/67/89/1066536789.db2.gz WPUUEEXPRGEKEX-UHFFFAOYSA-N 0 1 508.585 3.867 50 30 KHEAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)N(C[C@H]2CCCO2)C2=C1C(=O)CC(C)(C)C2 ZINC000002863450 552204654 /nfs/dbraw/zinc/20/46/54/552204654.db2.gz UILMOWIFFRTCFM-CRICUBBOSA-N 0 1 503.521 3.939 50 30 KHEAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)N(C[C@H]2CCCO2)C2=C1C(=O)CC(C)(C)C2 ZINC000002863451 552204666 /nfs/dbraw/zinc/20/46/66/552204666.db2.gz UILMOWIFFRTCFM-NSYGIPOTSA-N 0 1 503.521 3.939 50 30 KHEAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)N(C[C@@H]2CCCO2)C2=C1C(=O)CC(C)(C)C2 ZINC000002863452 552204671 /nfs/dbraw/zinc/20/46/71/552204671.db2.gz UILMOWIFFRTCFM-SSOJOUAXSA-N 0 1 503.521 3.939 50 30 KHEAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)N(C[C@@H]2CCCO2)C2=C1C(=O)CC(C)(C)C2 ZINC000002863453 552204676 /nfs/dbraw/zinc/20/46/76/552204676.db2.gz UILMOWIFFRTCFM-GKVSMKOHSA-N 0 1 503.521 3.939 50 30 KHEAMN C=CCOc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC ZINC000002877851 1066205842 /nfs/dbraw/zinc/20/58/42/1066205842.db2.gz MSEXAXPXJNZBRF-MHWRWJLKSA-N 0 1 503.374 3.862 50 30 KHEAMN COc1c(I)cc(I)cc1C=NN=c1nc(NCc2ccccc2)[nH]c(N2CCOCC2)n1 ZINC000004017852 552428804 /nfs/dbraw/zinc/42/88/04/552428804.db2.gz FMBIMXHNKRGPQT-VULFUBBASA-N 0 1 671.281 3.984 50 30 KHEAMN Oc1c(Br)cc(Br)cc1C=NN=c1nc(N2CCCC2)[nH]c(N2CCCC2)n1 ZINC000004113509 552438731 /nfs/dbraw/zinc/43/87/31/552438731.db2.gz WCUHIUVOMWZAGL-SRZZPIQSSA-N 0 1 511.222 3.749 50 30 KHEAMN Cc1ccc(S(=O)(=O)Nc2c(N=Nc3ccccc3C(F)(F)F)c(=O)[nH]n2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000004523369 552462805 /nfs/dbraw/zinc/46/28/05/552462805.db2.gz WVSQKDFBDVMSHL-VSAYZRKZSA-N 0 1 579.582 3.613 50 30 KHEAMN Cn1c2nc(NN=Cc3cc(Br)ccc3O)n(Cc3ccccc3)c2c(=O)n(Cc2ccccc2)c1=O ZINC000005221659 552495067 /nfs/dbraw/zinc/49/50/67/552495067.db2.gz LNQWAXJBHVDCHB-WKULSOCRSA-N 0 1 559.424 3.907 50 30 biogenic KHEAMN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000005918698 552511817 /nfs/dbraw/zinc/51/18/17/552511817.db2.gz KEYXNOACNAIKIN-HHHXNRCGSA-N 0 1 536.625 3.937 50 30 KHEAMN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000005918729 552511697 /nfs/dbraw/zinc/51/16/97/552511697.db2.gz KEYXNOACNAIKIN-MHZLTWQESA-N 0 1 536.625 3.937 50 30 KHEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)c(C)c3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000005927692 552513116 /nfs/dbraw/zinc/51/31/16/552513116.db2.gz ZQNUUDBZBKFBLG-AREMUKBSSA-N 0 1 506.599 3.869 50 30 KHEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)c(C)c3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000005927790 552513044 /nfs/dbraw/zinc/51/30/44/552513044.db2.gz ZQNUUDBZBKFBLG-SANMLTNESA-N 0 1 506.599 3.869 50 30 KHEAMN CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000005929080 552513336 /nfs/dbraw/zinc/51/33/36/552513336.db2.gz NZDCTYHPNOXCPP-QFIPXVFZSA-N 0 1 556.438 3.873 50 30 KHEAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)COc2ccc(C#N)cc2)ccc1N1CCCC1 ZINC000005941317 552513657 /nfs/dbraw/zinc/51/36/57/552513657.db2.gz RTZFQFDAFCGBGK-UHFFFAOYSA-N 0 1 506.584 3.985 50 30 KHEAMN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)c(OC)c1 ZINC000006023659 552520136 /nfs/dbraw/zinc/52/01/36/552520136.db2.gz CNQXZGGLHRZMEC-QFIPXVFZSA-N 0 1 528.970 3.788 50 30 KHEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)c(OC)c1 ZINC000006023660 552520272 /nfs/dbraw/zinc/52/02/72/552520272.db2.gz CNQXZGGLHRZMEC-JOCHJYFZSA-N 0 1 528.970 3.788 50 30 KHEAMN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1OC ZINC000006023802 552520249 /nfs/dbraw/zinc/52/02/49/552520249.db2.gz CUGJISDWXNNYQC-QFIPXVFZSA-N 0 1 528.970 3.788 50 30 KHEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1OC ZINC000006023803 552520145 /nfs/dbraw/zinc/52/01/45/552520145.db2.gz CUGJISDWXNNYQC-JOCHJYFZSA-N 0 1 528.970 3.788 50 30 KHEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000006057204 552520942 /nfs/dbraw/zinc/52/09/42/552520942.db2.gz GFPKGKRODFLBQO-RUZDIDTESA-N 0 1 535.622 3.899 50 30 KHEAMN CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000006057245 552520836 /nfs/dbraw/zinc/52/08/36/552520836.db2.gz NZDCTYHPNOXCPP-JOCHJYFZSA-N 0 1 556.438 3.873 50 30 KHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000006079845 552529989 /nfs/dbraw/zinc/52/99/89/552529989.db2.gz ORTFQCKGQOUGRB-FQEVSTJZSA-N 0 1 527.426 3.859 50 30 KHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000006079846 552530059 /nfs/dbraw/zinc/53/00/59/552530059.db2.gz ORTFQCKGQOUGRB-HXUWFJFHSA-N 0 1 527.426 3.859 50 30 KHEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000006079939 552530102 /nfs/dbraw/zinc/53/01/02/552530102.db2.gz UDWFHMFUOLMPGY-VWLOTQADSA-N 0 1 536.606 3.954 50 30 KHEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000006079943 552530097 /nfs/dbraw/zinc/53/00/97/552530097.db2.gz UDWFHMFUOLMPGY-RUZDIDTESA-N 0 1 536.606 3.954 50 30 KHEAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CSc3nc4c(cc3C#N)CCCC4)cc2)n1 ZINC000006088834 552530715 /nfs/dbraw/zinc/53/07/15/552530715.db2.gz ALRIJRZVZDORRC-UHFFFAOYSA-N 0 1 508.629 3.771 50 30 KHEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000006143972 552545461 /nfs/dbraw/zinc/54/54/61/552545461.db2.gz ZRAQBAFDBKTICO-JOCHJYFZSA-N 0 1 515.404 3.758 50 30 KHEAMN COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000006143973 552545485 /nfs/dbraw/zinc/54/54/85/552545485.db2.gz ZRAQBAFDBKTICO-QFIPXVFZSA-N 0 1 515.404 3.758 50 30 KHEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000006150604 552551433 /nfs/dbraw/zinc/55/14/33/552551433.db2.gz GFPKGKRODFLBQO-VWLOTQADSA-N 0 1 535.622 3.899 50 30 KHEAMN N#CC(C(=O)NCc1ccc2c(c1)OCO2)c1nc2ccccc2nc1N1CCN(c2ccc(F)cc2)CC1 ZINC000006150906 552551415 /nfs/dbraw/zinc/55/14/15/552551415.db2.gz KGBVWIBSJREALX-JOCHJYFZSA-N 0 1 524.556 3.748 50 30 KHEAMN N#CC(C(=O)NCc1ccc2c(c1)OCO2)c1nc2ccccc2nc1N1CCN(c2ccc(F)cc2)CC1 ZINC000006150909 552551409 /nfs/dbraw/zinc/55/14/09/552551409.db2.gz KGBVWIBSJREALX-QFIPXVFZSA-N 0 1 524.556 3.748 50 30 KHEAMN NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000006296790 552579327 /nfs/dbraw/zinc/57/93/27/552579327.db2.gz SKHPIHJEAHNDHC-FQEVSTJZSA-N 0 1 513.915 3.679 50 30 KHEAMN NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000006296791 552579396 /nfs/dbraw/zinc/57/93/96/552579396.db2.gz SKHPIHJEAHNDHC-HXUWFJFHSA-N 0 1 513.915 3.679 50 30 KHEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccnc2)nc1C ZINC000006385894 552582288 /nfs/dbraw/zinc/58/22/88/552582288.db2.gz CPAMOQVMHKGRQT-LJQANCHMSA-N 0 1 507.524 3.577 50 30 KHEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccnc2)nc1C ZINC000006385908 552582208 /nfs/dbraw/zinc/58/22/08/552582208.db2.gz CPAMOQVMHKGRQT-IBGZPJMESA-N 0 1 507.524 3.577 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000006459119 552590100 /nfs/dbraw/zinc/59/01/00/552590100.db2.gz USKPTAUGQAEVJB-LJQANCHMSA-N 0 1 537.506 3.700 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000006459121 552590048 /nfs/dbraw/zinc/59/00/48/552590048.db2.gz USKPTAUGQAEVJB-IBGZPJMESA-N 0 1 537.506 3.700 50 30 KHEAMN C=CCOc1c(Br)cc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC ZINC000006645194 552972230 /nfs/dbraw/zinc/97/22/30/552972230.db2.gz MSEXAXPXJNZBRF-YBEGLDIGSA-N 0 1 503.374 3.862 50 30 KHEAMN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000008383699 552987133 /nfs/dbraw/zinc/98/71/33/552987133.db2.gz XUYOVKLJFQCIFA-HHHXNRCGSA-N 0 1 552.624 3.556 50 30 KHEAMN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000008383701 552987542 /nfs/dbraw/zinc/98/75/42/552987542.db2.gz XUYOVKLJFQCIFA-MHZLTWQESA-N 0 1 552.624 3.556 50 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C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000008837625 553164448 /nfs/dbraw/zinc/16/44/48/553164448.db2.gz GMHKGEWOUHEALA-SANMLTNESA-N 0 1 506.599 3.951 50 30 KHEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1Cl ZINC000008837826 553164430 /nfs/dbraw/zinc/16/44/30/553164430.db2.gz PTTMOQRVCLWTBX-QFIPXVFZSA-N 0 1 518.994 3.904 50 30 KHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Cl)c2)cc1OC ZINC000008837928 553164785 /nfs/dbraw/zinc/16/47/85/553164785.db2.gz YYHTWONKXOOXOO-QHCPKHFHSA-N 0 1 500.979 3.658 50 30 KHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Cl)c2)cc1OC ZINC000008837929 553164772 /nfs/dbraw/zinc/16/47/72/553164772.db2.gz YYHTWONKXOOXOO-HSZRJFAPSA-N 0 1 500.979 3.658 50 30 KHEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000008858431 553169066 /nfs/dbraw/zinc/16/90/66/553169066.db2.gz IAICYINSRJNLOR-AREMUKBSSA-N 0 1 524.614 3.793 50 30 KHEAMN 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CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000008859565 553169655 /nfs/dbraw/zinc/16/96/55/553169655.db2.gz KHSVSIPPFLBBAG-SANMLTNESA-N 0 1 524.614 3.793 50 30 KHEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000008859671 553169844 /nfs/dbraw/zinc/16/98/44/553169844.db2.gz QOSSXHVFUKRASI-AREMUKBSSA-N 0 1 506.599 3.951 50 30 KHEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000008859672 553169775 /nfs/dbraw/zinc/16/97/75/553169775.db2.gz QOSSXHVFUKRASI-SANMLTNESA-N 0 1 506.599 3.951 50 30 KHEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000008859766 553169836 /nfs/dbraw/zinc/16/98/36/553169836.db2.gz GMHKGEWOUHEALA-AREMUKBSSA-N 0 1 506.599 3.951 50 30 KHEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Br)c2)c1 ZINC000008859791 553169910 /nfs/dbraw/zinc/16/99/10/553169910.db2.gz YURGLBDQCXFWBY-JOCHJYFZSA-N 0 1 515.404 3.758 50 30 KHEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Br)c2)c1 ZINC000008859792 553169828 /nfs/dbraw/zinc/16/98/28/553169828.db2.gz YURGLBDQCXFWBY-QFIPXVFZSA-N 0 1 515.404 3.758 50 30 KHEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000008860124 553169966 /nfs/dbraw/zinc/16/99/66/553169966.db2.gz GNBZDIFKZBDPJY-XMMPIXPASA-N 0 1 518.522 3.657 50 30 KHEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000008860126 553169870 /nfs/dbraw/zinc/16/98/70/553169870.db2.gz GNBZDIFKZBDPJY-DEOSSOPVSA-N 0 1 518.522 3.657 50 30 KHEAMN Oc1ccc(I)cc1C=NN=c1nc(N2CCCCC2)[nH]c(N2CCCCC2)n1 ZINC000008872666 553173770 /nfs/dbraw/zinc/17/37/70/553173770.db2.gz AYQVZZJPAHFWJG-HYARGMPZSA-N 0 1 507.380 3.608 50 30 KHEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OCC)c(OCC)c2)cc1 ZINC000008892920 553176961 /nfs/dbraw/zinc/17/69/61/553176961.db2.gz GWBVYEODPGVLJS-AREMUKBSSA-N 0 1 524.614 3.793 50 30 KHEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OCC)c(OCC)c2)cc1 ZINC000008892921 553177007 /nfs/dbraw/zinc/17/70/07/553177007.db2.gz GWBVYEODPGVLJS-SANMLTNESA-N 0 1 524.614 3.793 50 30 KHEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OCCC)cc2)cc1 ZINC000008893041 553176975 /nfs/dbraw/zinc/17/69/75/553176975.db2.gz ZUMUREBQAXKFOO-SANMLTNESA-N 0 1 506.599 3.951 50 30 KHEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000008893057 553176968 /nfs/dbraw/zinc/17/69/68/553176968.db2.gz VHVMLNJBIRRBIH-AREMUKBSSA-N 0 1 506.599 3.951 50 30 KHEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000008893435 553177200 /nfs/dbraw/zinc/17/72/00/553177200.db2.gz MGRAFHLVQAYVOJ-AREMUKBSSA-N 0 1 524.614 3.793 50 30 KHEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000008893439 553177148 /nfs/dbraw/zinc/17/71/48/553177148.db2.gz MGRAFHLVQAYVOJ-SANMLTNESA-N 0 1 524.614 3.793 50 30 KHEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000008895266 553178186 /nfs/dbraw/zinc/17/81/86/553178186.db2.gz LAPFWMYEBWOJTQ-JOCHJYFZSA-N 0 1 510.499 3.809 50 30 KHEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000008895272 553178141 /nfs/dbraw/zinc/17/81/41/553178141.db2.gz LAPFWMYEBWOJTQ-QFIPXVFZSA-N 0 1 510.499 3.809 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000008895373 553178105 /nfs/dbraw/zinc/17/81/05/553178105.db2.gz AUDPHPIIFBEYCI-GOSISDBHSA-N 0 1 509.496 3.938 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000008895378 553178181 /nfs/dbraw/zinc/17/81/81/553178181.db2.gz AUDPHPIIFBEYCI-SFHVURJKSA-N 0 1 509.496 3.938 50 30 KHEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C(C)C)cc2)c1C ZINC000008895897 553178579 /nfs/dbraw/zinc/17/85/79/553178579.db2.gz ZDVVWTFWTMTQPP-RUZDIDTESA-N 0 1 523.630 3.842 50 30 KHEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)C)cc2)c1C ZINC000008895904 553178620 /nfs/dbraw/zinc/17/86/20/553178620.db2.gz ZDVVWTFWTMTQPP-VWLOTQADSA-N 0 1 523.630 3.842 50 30 KHEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000008896439 553178614 /nfs/dbraw/zinc/17/86/14/553178614.db2.gz HHMGSZLCMVSJRF-AREMUKBSSA-N 0 1 506.599 3.949 50 30 KHEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000008896442 553178611 /nfs/dbraw/zinc/17/86/11/553178611.db2.gz HHMGSZLCMVSJRF-SANMLTNESA-N 0 1 506.599 3.949 50 30 KHEAMN Cc1c(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(Cl)cc2)cnn1-c1ccccc1 ZINC000008897233 553179379 /nfs/dbraw/zinc/17/93/79/553179379.db2.gz ZNADPPKCCZKIAM-XMMPIXPASA-N 0 1 506.990 3.745 50 30 KHEAMN Cc1c(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)cnn1-c1ccccc1 ZINC000008897238 553179408 /nfs/dbraw/zinc/17/94/08/553179408.db2.gz ZNADPPKCCZKIAM-DEOSSOPVSA-N 0 1 506.990 3.745 50 30 KHEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000008897408 553179694 /nfs/dbraw/zinc/17/96/94/553179694.db2.gz JQJGHMLFKALAKK-XMMPIXPASA-N 0 1 523.630 3.626 50 30 KHEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000008897415 553179637 /nfs/dbraw/zinc/17/96/37/553179637.db2.gz JQJGHMLFKALAKK-DEOSSOPVSA-N 0 1 523.630 3.626 50 30 KHEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1Cl ZINC000008903487 553183304 /nfs/dbraw/zinc/18/33/04/553183304.db2.gz PTTMOQRVCLWTBX-JOCHJYFZSA-N 0 1 518.994 3.904 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000008905322 553183751 /nfs/dbraw/zinc/18/37/51/553183751.db2.gz YPHLCERYWPKNPP-GOSISDBHSA-N 0 1 509.496 3.938 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000008905325 553183695 /nfs/dbraw/zinc/18/36/95/553183695.db2.gz YPHLCERYWPKNPP-SFHVURJKSA-N 0 1 509.496 3.938 50 30 KHEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000008914329 553185706 /nfs/dbraw/zinc/18/57/06/553185706.db2.gz DEBWBMWJVUHJCO-RUZDIDTESA-N 0 1 501.539 3.888 50 30 KHEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000008914330 553185701 /nfs/dbraw/zinc/18/57/01/553185701.db2.gz DEBWBMWJVUHJCO-VWLOTQADSA-N 0 1 501.539 3.888 50 30 KHEAMN C=CCN1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2CCN(Cc3ccccc3)CC2)SC1=S ZINC000008915500 553186223 /nfs/dbraw/zinc/18/62/23/553186223.db2.gz UADDGFHHCZETQQ-XLNRJJMWSA-N 0 1 517.680 3.712 50 30 KHEAMN CCOc1ccc([C@@H]2C(C(=O)c3cc4cccc(OC)c4o3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000008919910 553189001 /nfs/dbraw/zinc/18/90/01/553189001.db2.gz UIVOIPWMYLPMEB-SBXHHDGASA-N 0 1 506.555 3.594 50 30 KHEAMN CCOc1ccc([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000008919915 553189009 /nfs/dbraw/zinc/18/90/09/553189009.db2.gz UIVOIPWMYLPMEB-NXLSWJSLSA-N 0 1 506.555 3.594 50 30 KHEAMN C=CCN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2CCN(Cc3ccccc3)CC2)SC1=S ZINC000008921828 553190046 /nfs/dbraw/zinc/19/00/46/553190046.db2.gz OHBZRSZBCVOPQI-JWGURIENSA-N 0 1 517.680 3.712 50 30 KHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000008922719 553190282 /nfs/dbraw/zinc/19/02/82/553190282.db2.gz ZHQAJFOGTACXLW-QFIPXVFZSA-N 0 1 515.404 3.758 50 30 KHEAMN CC(=NNc1nc2c(c(=O)n(Cc3ccccc3)c(=O)n2C)n1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000008926262 553191046 /nfs/dbraw/zinc/19/10/46/553191046.db2.gz SEFKKEBCHRLWBZ-NDZAJKAJSA-N 0 1 523.553 3.738 50 30 KHEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OCCC)cc2)cc1 ZINC000008934671 553192901 /nfs/dbraw/zinc/19/29/01/553192901.db2.gz ZUMUREBQAXKFOO-AREMUKBSSA-N 0 1 506.599 3.951 50 30 KHEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000008934672 553192964 /nfs/dbraw/zinc/19/29/64/553192964.db2.gz VHVMLNJBIRRBIH-SANMLTNESA-N 0 1 506.599 3.951 50 30 KHEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000008988015 553196849 /nfs/dbraw/zinc/19/68/49/553196849.db2.gz FKGWEMMATWJMDN-SBXHHDGASA-N 0 1 515.006 3.891 50 30 KHEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000008988020 553196833 /nfs/dbraw/zinc/19/68/33/553196833.db2.gz FKGWEMMATWJMDN-NXLSWJSLSA-N 0 1 515.006 3.891 50 30 KHEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000008988078 553196857 /nfs/dbraw/zinc/19/68/57/553196857.db2.gz QCNLJFAHDCYICM-CJJGVWJISA-N 0 1 508.615 3.936 50 30 KHEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000008988081 553196808 /nfs/dbraw/zinc/19/68/08/553196808.db2.gz QCNLJFAHDCYICM-CZNAVJSXSA-N 0 1 508.615 3.936 50 30 KHEAMN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN4CCOCC4)[C@H]3c3ccncc3)cc2)c1 ZINC000008996359 553197226 /nfs/dbraw/zinc/19/72/26/553197226.db2.gz ZETFODAFQUXXLN-MHZLTWQESA-N 0 1 513.594 3.880 50 30 KHEAMN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN4CCOCC4)[C@@H]3c3ccncc3)cc2)c1 ZINC000008996360 553197175 /nfs/dbraw/zinc/19/71/75/553197175.db2.gz ZETFODAFQUXXLN-HHHXNRCGSA-N 0 1 513.594 3.880 50 30 KHEAMN Cc1cc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1OC(C)C ZINC000008996863 553197430 /nfs/dbraw/zinc/19/74/30/553197430.db2.gz VWQMTLRLDSSRTC-DEOSSOPVSA-N 0 1 509.559 3.601 50 30 KHEAMN Cc1cc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)ccc1OC(C)C ZINC000008996864 553197467 /nfs/dbraw/zinc/19/74/67/553197467.db2.gz VWQMTLRLDSSRTC-XMMPIXPASA-N 0 1 509.559 3.601 50 30 KHEAMN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000009007809 553198281 /nfs/dbraw/zinc/19/82/81/553198281.db2.gz BZSBPZPSWIHHPU-VWLOTQADSA-N 0 1 502.615 3.851 50 30 KHEAMN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000009007810 553198344 /nfs/dbraw/zinc/19/83/44/553198344.db2.gz BZSBPZPSWIHHPU-RUZDIDTESA-N 0 1 502.615 3.851 50 30 KHEAMN CCOc1ccc([C@@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000009008373 553198829 /nfs/dbraw/zinc/19/88/29/553198829.db2.gz KHPPNUAIHZPVDT-HSZRJFAPSA-N 0 1 506.559 3.682 50 30 KHEAMN CC(C)COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009009186 553199265 /nfs/dbraw/zinc/19/92/65/553199265.db2.gz KEBVQONGZAONGR-DEOSSOPVSA-N 0 1 509.559 3.540 50 30 KHEAMN CC(C)COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009009187 553199234 /nfs/dbraw/zinc/19/92/34/553199234.db2.gz KEBVQONGZAONGR-XMMPIXPASA-N 0 1 509.559 3.540 50 30 KHEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Br)c2)cc1C ZINC000009042289 553202681 /nfs/dbraw/zinc/20/26/81/553202681.db2.gz JRQDNJWCSAPIJL-QFIPXVFZSA-N 0 1 515.404 3.677 50 30 KHEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(Br)c2)cc1C ZINC000009042292 553202635 /nfs/dbraw/zinc/20/26/35/553202635.db2.gz JRQDNJWCSAPIJL-JOCHJYFZSA-N 0 1 515.404 3.677 50 30 KHEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000009046795 553204266 /nfs/dbraw/zinc/20/42/66/553204266.db2.gz XFETUGPMYCQLPK-SBXHHDGASA-N 0 1 515.006 3.891 50 30 KHEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000009066771 553206190 /nfs/dbraw/zinc/20/61/90/553206190.db2.gz BSOXXMSGCFGBOH-CJJGVWJISA-N 0 1 524.614 3.637 50 30 KHEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000009066778 553206114 /nfs/dbraw/zinc/20/61/14/553206114.db2.gz BSOXXMSGCFGBOH-CZNAVJSXSA-N 0 1 524.614 3.637 50 30 KHEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc(Br)c1 ZINC000009067985 553206358 /nfs/dbraw/zinc/20/63/58/553206358.db2.gz XSJRPIYKZRJQBC-JBCNATCCSA-N 0 1 503.368 3.732 50 30 KHEAMN CCOc1ccc([C@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000009070229 553206909 /nfs/dbraw/zinc/20/69/09/553206909.db2.gz KHPPNUAIHZPVDT-QHCPKHFHSA-N 0 1 506.559 3.682 50 30 KHEAMN COc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000009089017 553209119 /nfs/dbraw/zinc/20/91/19/553209119.db2.gz QQTOBFRJTIVADK-VWLOTQADSA-N 0 1 528.577 3.541 50 30 KHEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000009089018 553209167 /nfs/dbraw/zinc/20/91/67/553209167.db2.gz QQTOBFRJTIVADK-RUZDIDTESA-N 0 1 528.577 3.541 50 30 KHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000009089215 553209158 /nfs/dbraw/zinc/20/91/58/553209158.db2.gz IPCZYEYHLGEJEN-HSZRJFAPSA-N 0 1 514.644 3.849 50 30 KHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000009089216 553209123 /nfs/dbraw/zinc/20/91/23/553209123.db2.gz IPCZYEYHLGEJEN-QHCPKHFHSA-N 0 1 514.644 3.849 50 30 KHEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Br)cc1 ZINC000009108570 553209648 /nfs/dbraw/zinc/20/96/48/553209648.db2.gz OFJSVHMJJSEQDB-JBCNATCCSA-N 0 1 503.368 3.732 50 30 KHEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000009108678 553209655 /nfs/dbraw/zinc/20/96/55/553209655.db2.gz AEVXZFHRCXQCMA-RUZDIDTESA-N 0 1 512.578 3.922 50 30 KHEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Br)cc1 ZINC000009109978 553210069 /nfs/dbraw/zinc/21/00/69/553210069.db2.gz OFJSVHMJJSEQDB-MRJHHRETSA-N 0 1 503.368 3.732 50 30 KHEAMN COc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000009109991 553210177 /nfs/dbraw/zinc/21/01/77/553210177.db2.gz AEVXZFHRCXQCMA-VWLOTQADSA-N 0 1 512.578 3.922 50 30 KHEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000009123706 553212551 /nfs/dbraw/zinc/21/25/51/553212551.db2.gz GSUOUHZUTULJEX-ZHHPLPSFSA-N 0 1 500.979 3.501 50 30 KHEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000009123707 553212533 /nfs/dbraw/zinc/21/25/33/553212533.db2.gz GSUOUHZUTULJEX-AYWGPLOBSA-N 0 1 500.979 3.501 50 30 KHEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)cc(OC)c1OC ZINC000009124609 553212774 /nfs/dbraw/zinc/21/27/74/553212774.db2.gz IIMDDJRGZWQURJ-LAJNKCICSA-N 0 1 523.567 3.979 50 30 KHEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)cc(OC)c1OC ZINC000009124610 553212792 /nfs/dbraw/zinc/21/27/92/553212792.db2.gz IIMDDJRGZWQURJ-QKVFXAPYSA-N 0 1 523.567 3.979 50 30 KHEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)cc(OC)c1OC ZINC000009124611 553212893 /nfs/dbraw/zinc/21/28/93/553212893.db2.gz IIMDDJRGZWQURJ-XUSGNXJCSA-N 0 1 523.567 3.979 50 30 KHEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)cc(OC)c1OC ZINC000009124612 553213026 /nfs/dbraw/zinc/21/30/26/553213026.db2.gz IIMDDJRGZWQURJ-GTJPDFRWSA-N 0 1 523.567 3.979 50 30 KHEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(=O)OC)cc2)c1C ZINC000009175345 553216200 /nfs/dbraw/zinc/21/62/00/553216200.db2.gz LVXHTEWBLICHAL-QHCPKHFHSA-N 0 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50 30 KHEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000009179120 553216628 /nfs/dbraw/zinc/21/66/28/553216628.db2.gz OQHZRTVMPACQOA-AYWGPLOBSA-N 0 1 500.979 3.501 50 30 KHEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000009185042 553217063 /nfs/dbraw/zinc/21/70/63/553217063.db2.gz OTTFCWBFYDFYFJ-CJJGVWJISA-N 0 1 506.599 3.794 50 30 KHEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000009185048 553217030 /nfs/dbraw/zinc/21/70/30/553217030.db2.gz OTTFCWBFYDFYFJ-CZNAVJSXSA-N 0 1 506.599 3.794 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000009185623 553217436 /nfs/dbraw/zinc/21/74/36/553217436.db2.gz FXKNBHZQQYMJGP-GOSISDBHSA-N 0 1 509.496 3.938 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000009185624 553217398 /nfs/dbraw/zinc/21/73/98/553217398.db2.gz FXKNBHZQQYMJGP-SFHVURJKSA-N 0 1 509.496 3.938 50 30 KHEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000009186644 553217605 /nfs/dbraw/zinc/21/76/05/553217605.db2.gz CFZAUJQJWZJFFZ-CZNAVJSXSA-N 0 1 508.615 3.936 50 30 KHEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1C ZINC000009192134 553218838 /nfs/dbraw/zinc/21/88/38/553218838.db2.gz LDASJSCIBQRMTQ-JOCHJYFZSA-N 0 1 504.499 3.890 50 30 KHEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc([N+](=O)[O-])c2)c1C ZINC000009192758 553218975 /nfs/dbraw/zinc/21/89/75/553218975.db2.gz LDASJSCIBQRMTQ-QFIPXVFZSA-N 0 1 504.499 3.890 50 30 KHEAMN CC(C)COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009192882 553218981 /nfs/dbraw/zinc/21/89/81/553218981.db2.gz WGHODWMFKICNGP-XMMPIXPASA-N 0 1 509.559 3.540 50 30 KHEAMN CC(C)COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009192883 553218931 /nfs/dbraw/zinc/21/89/31/553218931.db2.gz WGHODWMFKICNGP-DEOSSOPVSA-N 0 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KHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1OC ZINC000009236118 553225544 /nfs/dbraw/zinc/22/55/44/553225544.db2.gz YTXVVBGUWAIOAE-CJJGVWJISA-N 0 1 508.615 3.971 50 30 KHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)C)cc2)cc1OC ZINC000009236121 553225561 /nfs/dbraw/zinc/22/55/61/553225561.db2.gz YTXVVBGUWAIOAE-CZNAVJSXSA-N 0 1 508.615 3.971 50 30 KHEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(Br)c1 ZINC000009240540 553226146 /nfs/dbraw/zinc/22/61/46/553226146.db2.gz XSJRPIYKZRJQBC-MRJHHRETSA-N 0 1 503.368 3.732 50 30 KHEAMN NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009242812 553226588 /nfs/dbraw/zinc/22/65/88/553226588.db2.gz YTNWNDDEMNWGEZ-HXUWFJFHSA-N 0 1 513.915 3.679 50 30 KHEAMN NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009242813 553226605 /nfs/dbraw/zinc/22/66/05/553226605.db2.gz YTNWNDDEMNWGEZ-FQEVSTJZSA-N 0 1 513.915 3.679 50 30 KHEAMN C=CCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1I ZINC000009259352 553228010 /nfs/dbraw/zinc/22/80/10/553228010.db2.gz BHSCRSNXEIVQSE-RAXLEYEMSA-N 0 1 508.312 3.826 50 30 KHEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000009270712 553230534 /nfs/dbraw/zinc/23/05/34/553230534.db2.gz PGFVUDQQMDPESS-ZHHPLPSFSA-N 0 1 500.979 3.501 50 30 KHEAMN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000009270713 553230577 /nfs/dbraw/zinc/23/05/77/553230577.db2.gz PGFVUDQQMDPESS-AYWGPLOBSA-N 0 1 500.979 3.501 50 30 KHEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Br)cc2)c1C ZINC000009271199 553230793 /nfs/dbraw/zinc/23/07/93/553230793.db2.gz XWICIJWTEVANBY-FQEVSTJZSA-N 0 1 518.408 3.711 50 30 KHEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Br)cc2)c1C ZINC000009271199 553230791 /nfs/dbraw/zinc/23/07/91/553230791.db2.gz XWICIJWTEVANBY-FQEVSTJZSA-N 0 1 518.408 3.711 50 30 KHEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Br)cc2)c1C ZINC000009271200 553230676 /nfs/dbraw/zinc/23/06/76/553230676.db2.gz XWICIJWTEVANBY-HXUWFJFHSA-N 0 1 518.408 3.711 50 30 KHEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Br)cc2)c1C ZINC000009271200 553230675 /nfs/dbraw/zinc/23/06/75/553230675.db2.gz XWICIJWTEVANBY-HXUWFJFHSA-N 0 1 518.408 3.711 50 30 KHEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Br)c2)c1C ZINC000009271405 553230661 /nfs/dbraw/zinc/23/06/61/553230661.db2.gz UWQZPDVRMUAOGV-FQEVSTJZSA-N 0 1 518.408 3.711 50 30 KHEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Br)c2)c1C ZINC000009271405 553230660 /nfs/dbraw/zinc/23/06/60/553230660.db2.gz UWQZPDVRMUAOGV-FQEVSTJZSA-N 0 1 518.408 3.711 50 30 KHEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Br)c2)c1C ZINC000009271406 553230712 /nfs/dbraw/zinc/23/07/12/553230712.db2.gz UWQZPDVRMUAOGV-HXUWFJFHSA-N 0 1 518.408 3.711 50 30 KHEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Br)c2)c1C ZINC000009271406 553230709 /nfs/dbraw/zinc/23/07/09/553230709.db2.gz UWQZPDVRMUAOGV-HXUWFJFHSA-N 0 1 518.408 3.711 50 30 KHEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000009273344 553232172 /nfs/dbraw/zinc/23/21/72/553232172.db2.gz CFZAUJQJWZJFFZ-CJJGVWJISA-N 0 1 508.615 3.936 50 30 KHEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OCC=C)cc2)cc1 ZINC000009274700 553232650 /nfs/dbraw/zinc/23/26/50/553232650.db2.gz MEYPWOGUFUWDMR-ONQGDUAMSA-N 0 1 518.610 3.960 50 30 KHEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000009280222 553233115 /nfs/dbraw/zinc/23/31/15/553233115.db2.gz PFPFCIGJVLWHNM-NPJIAGGLSA-N 0 1 512.578 3.767 50 30 KHEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000009280224 553233077 /nfs/dbraw/zinc/23/30/77/553233077.db2.gz PFPFCIGJVLWHNM-IUKMQXEJSA-N 0 1 512.578 3.767 50 30 KHEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1C ZINC000009282464 553233874 /nfs/dbraw/zinc/23/38/74/553233874.db2.gz ZKZYSJJTWAWJKE-JOCHJYFZSA-N 0 1 504.499 3.890 50 30 KHEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1C ZINC000009282465 553233861 /nfs/dbraw/zinc/23/38/61/553233861.db2.gz ZKZYSJJTWAWJKE-QFIPXVFZSA-N 0 1 504.499 3.890 50 30 KHEAMN Clc1ccc(-c2ccc(CN=Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)o2)cc1Cl ZINC000009296500 553235787 /nfs/dbraw/zinc/23/57/87/553235787.db2.gz OLZHLCRPFPRWMH-AFUMVMLFSA-N 0 1 504.378 3.558 50 30 KHEAMN COc1cc(C=NNc2cc(N(C)C)nc(C(C)C)n2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000009299676 553235991 /nfs/dbraw/zinc/23/59/91/553235991.db2.gz KMVGKZXBVDVGNQ-ZVHZXABRSA-N 0 1 514.564 3.797 50 30 KHEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(OC)cc2)c1C ZINC000009308634 553237495 /nfs/dbraw/zinc/23/74/95/553237495.db2.gz XCMLJBHJCXKUSC-HSZRJFAPSA-N 0 1 506.559 3.682 50 30 KHEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(OC)cc2)c1C ZINC000009308635 553237506 /nfs/dbraw/zinc/23/75/06/553237506.db2.gz XCMLJBHJCXKUSC-QHCPKHFHSA-N 0 1 506.559 3.682 50 30 KHEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)C(=O)C(=O)N2CCOC)cc1 ZINC000009328464 553241969 /nfs/dbraw/zinc/24/19/69/553241969.db2.gz LBCIYQITZSDIHD-DEOSSOPVSA-N 0 1 528.627 3.507 50 30 KHEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)C(=O)C(=O)N2CCOC)cc1 ZINC000009328467 553242055 /nfs/dbraw/zinc/24/20/55/553242055.db2.gz LBCIYQITZSDIHD-XMMPIXPASA-N 0 1 528.627 3.507 50 30 KHEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1cccc(Cl)c1 ZINC000009328795 553242060 /nfs/dbraw/zinc/24/20/60/553242060.db2.gz YKRCQPWSKLCCQS-JOCHJYFZSA-N 0 1 519.019 3.739 50 30 KHEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000009328796 553242039 /nfs/dbraw/zinc/24/20/39/553242039.db2.gz YKRCQPWSKLCCQS-QFIPXVFZSA-N 0 1 519.019 3.739 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccc(O)c(OC)c2)nc1C ZINC000009329162 553242314 /nfs/dbraw/zinc/24/23/14/553242314.db2.gz NNBSIAFANNKASH-LJQANCHMSA-N 0 1 510.524 3.744 50 30 KHEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000009329231 553242300 /nfs/dbraw/zinc/24/23/00/553242300.db2.gz XHLOGQGIOJIHPY-YUNKPMOVSA-N 0 1 518.360 3.711 50 30 KHEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000009329232 553242274 /nfs/dbraw/zinc/24/22/74/553242274.db2.gz XHLOGQGIOJIHPY-MPBGBICISA-N 0 1 518.360 3.711 50 30 KHEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000009329233 553242210 /nfs/dbraw/zinc/24/22/10/553242210.db2.gz XHLOGQGIOJIHPY-FKIZINRSSA-N 0 1 518.360 3.711 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000009329346 553242169 /nfs/dbraw/zinc/24/21/69/553242169.db2.gz XKWPQBHSQMKKEJ-GOSISDBHSA-N 0 1 509.496 3.938 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000009329347 553242203 /nfs/dbraw/zinc/24/22/03/553242203.db2.gz XKWPQBHSQMKKEJ-SFHVURJKSA-N 0 1 509.496 3.938 50 30 KHEAMN COc1ccccc1N1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NCCc2ccccc2)CC1 ZINC000009347956 553244629 /nfs/dbraw/zinc/24/46/29/553244629.db2.gz NFIQNUPFRFYQBY-HSZRJFAPSA-N 0 1 506.610 3.931 50 30 KHEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(C)C)cc1OCC ZINC000009350478 553245328 /nfs/dbraw/zinc/24/53/28/553245328.db2.gz DWRMXJBOBMPKSC-BFLOGMOSSA-N 0 1 506.599 3.957 50 30 KHEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(C)C)cc1OCC ZINC000009350479 553245361 /nfs/dbraw/zinc/24/53/61/553245361.db2.gz DWRMXJBOBMPKSC-PLWHFILJSA-N 0 1 506.599 3.957 50 30 KHEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(C)C)cc1OCC ZINC000009350480 553245311 /nfs/dbraw/zinc/24/53/11/553245311.db2.gz DWRMXJBOBMPKSC-XCSSDTEYSA-N 0 1 506.599 3.957 50 30 KHEAMN COc1ccccc1N1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NCCc2ccccc2)CC1 ZINC000009353194 553245309 /nfs/dbraw/zinc/24/53/09/553245309.db2.gz NFIQNUPFRFYQBY-QHCPKHFHSA-N 0 1 506.610 3.931 50 30 KHEAMN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000009353479 553245614 /nfs/dbraw/zinc/24/56/14/553245614.db2.gz QAEYUALPGVZKLO-VDLDRNGKSA-N 0 1 520.626 3.943 50 30 KHEAMN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000009353488 553245609 /nfs/dbraw/zinc/24/56/09/553245609.db2.gz QAEYUALPGVZKLO-PMABHTPKSA-N 0 1 520.626 3.943 50 30 KHEAMN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000009353490 553245514 /nfs/dbraw/zinc/24/55/14/553245514.db2.gz QAEYUALPGVZKLO-MNEKTFPPSA-N 0 1 520.626 3.943 50 30 KHEAMN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000009353493 553245562 /nfs/dbraw/zinc/24/55/62/553245562.db2.gz QAEYUALPGVZKLO-HGZLRSGXSA-N 0 1 520.626 3.943 50 30 KHEAMN COc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)C(=O)C(=O)N2CCN2CCOCC2)ccc1O ZINC000009354253 553245739 /nfs/dbraw/zinc/24/57/39/553245739.db2.gz GJXARONJRYTKOF-SANMLTNESA-N 0 1 524.614 3.655 50 30 KHEAMN COc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)C(=O)C(=O)N2CCN2CCOCC2)ccc1O ZINC000009354255 553245735 /nfs/dbraw/zinc/24/57/35/553245735.db2.gz GJXARONJRYTKOF-AREMUKBSSA-N 0 1 524.614 3.655 50 30 KHEAMN COc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2CCN(C)C)cc(OC)c1OC ZINC000009354331 553246033 /nfs/dbraw/zinc/24/60/33/553246033.db2.gz UYPSOMLCOGRYPC-DEOSSOPVSA-N 0 1 512.603 3.948 50 30 KHEAMN COc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2CCN(C)C)cc(OC)c1OC ZINC000009354332 553245999 /nfs/dbraw/zinc/24/59/99/553245999.db2.gz UYPSOMLCOGRYPC-XMMPIXPASA-N 0 1 512.603 3.948 50 30 KHEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000009357383 553246905 /nfs/dbraw/zinc/24/69/05/553246905.db2.gz FTGNXDVCXQUWLM-JOCHJYFZSA-N 0 1 515.404 3.677 50 30 KHEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(Br)cc2)cc1C ZINC000009357387 553246929 /nfs/dbraw/zinc/24/69/29/553246929.db2.gz FTGNXDVCXQUWLM-QFIPXVFZSA-N 0 1 515.404 3.677 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccc(O)c(OC)c2)nc1C ZINC000009358650 553247752 /nfs/dbraw/zinc/24/77/52/553247752.db2.gz NNBSIAFANNKASH-IBGZPJMESA-N 0 1 510.524 3.744 50 30 KHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000009358941 553247617 /nfs/dbraw/zinc/24/76/17/553247617.db2.gz XUNYTYSQRXQBEO-HSZRJFAPSA-N 0 1 500.617 3.675 50 30 KHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000009358944 553247637 /nfs/dbraw/zinc/24/76/37/553247637.db2.gz XUNYTYSQRXQBEO-QHCPKHFHSA-N 0 1 500.617 3.675 50 30 KHEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000009359031 553247918 /nfs/dbraw/zinc/24/79/18/553247918.db2.gz XHLOGQGIOJIHPY-ODXCJYRJSA-N 0 1 518.360 3.711 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccccc2F)nc1C ZINC000009359443 553247974 /nfs/dbraw/zinc/24/79/74/553247974.db2.gz OYDPDMTXCRTPIV-LJQANCHMSA-N 0 1 510.499 3.931 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccccc2F)nc1C ZINC000009359444 553247959 /nfs/dbraw/zinc/24/79/59/553247959.db2.gz OYDPDMTXCRTPIV-IBGZPJMESA-N 0 1 510.499 3.931 50 30 KHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1ccc(F)cc1 ZINC000009360365 553248446 /nfs/dbraw/zinc/24/84/46/553248446.db2.gz VKCPKDYEOBBYKC-HSZRJFAPSA-N 0 1 516.591 3.615 50 30 KHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000009374679 553250910 /nfs/dbraw/zinc/25/09/10/553250910.db2.gz VKCPKDYEOBBYKC-QHCPKHFHSA-N 0 1 516.591 3.615 50 30 KHEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000009374977 553251120 /nfs/dbraw/zinc/25/11/20/553251120.db2.gz SHLIXZRJMUJMDN-NKHPTUSLSA-N 0 1 506.599 3.553 50 30 KHEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000009374979 553251077 /nfs/dbraw/zinc/25/10/77/553251077.db2.gz SHLIXZRJMUJMDN-ONLXDWTESA-N 0 1 506.599 3.553 50 30 KHEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000009374981 553251089 /nfs/dbraw/zinc/25/10/89/553251089.db2.gz SHLIXZRJMUJMDN-HUPAGYGUSA-N 0 1 506.599 3.553 50 30 KHEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000009374983 553251159 /nfs/dbraw/zinc/25/11/59/553251159.db2.gz SHLIXZRJMUJMDN-KXCNXCNDSA-N 0 1 506.599 3.553 50 30 KHEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(C)C)cc1OCC ZINC000009413056 553258148 /nfs/dbraw/zinc/25/81/48/553258148.db2.gz DWRMXJBOBMPKSC-IOUQRVAPSA-N 0 1 506.599 3.957 50 30 KHEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000009460758 553266872 /nfs/dbraw/zinc/26/68/72/553266872.db2.gz QHULCELAQVLBNM-CJJGVWJISA-N 0 1 508.615 3.874 50 30 KHEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000009460759 553266957 /nfs/dbraw/zinc/26/69/57/553266957.db2.gz QHULCELAQVLBNM-CZNAVJSXSA-N 0 1 508.615 3.874 50 30 KHEAMN CCN1CCN(c2c(/C=C3\SC(=S)N(CCCc4ccccc4)C3=O)c(C)c(C#N)c(=O)n2C)CC1 ZINC000009461001 553267178 /nfs/dbraw/zinc/26/71/78/553267178.db2.gz LXLYHMKPSZNCCM-QJOMJCCJSA-N 0 1 521.712 3.541 50 30 KHEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(N(C)C)cc2)cc1C ZINC000009993605 553324054 /nfs/dbraw/zinc/32/40/54/553324054.db2.gz RAPRXSIJJRCRTP-AREMUKBSSA-N 0 1 507.631 3.760 50 30 KHEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(N(C)C)cc2)cc1C ZINC000009993609 553324135 /nfs/dbraw/zinc/32/41/35/553324135.db2.gz RAPRXSIJJRCRTP-SANMLTNESA-N 0 1 507.631 3.760 50 30 KHEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000009993612 553324062 /nfs/dbraw/zinc/32/40/62/553324062.db2.gz WSWLANZWLSJGGY-AREMUKBSSA-N 0 1 524.614 3.712 50 30 KHEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000009993615 553324192 /nfs/dbraw/zinc/32/41/92/553324192.db2.gz WSWLANZWLSJGGY-SANMLTNESA-N 0 1 524.614 3.712 50 30 KHEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(N(C)C)cc2)cc1C ZINC000009993801 553324115 /nfs/dbraw/zinc/32/41/15/553324115.db2.gz IJVKJKBWXASQSJ-AREMUKBSSA-N 0 1 507.631 3.760 50 30 KHEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(N(C)C)cc2)cc1C ZINC000009993803 553324152 /nfs/dbraw/zinc/32/41/52/553324152.db2.gz IJVKJKBWXASQSJ-SANMLTNESA-N 0 1 507.631 3.760 50 30 KHEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(N(C)C)cc2)cc1C ZINC000009994029 553324424 /nfs/dbraw/zinc/32/44/24/553324424.db2.gz RYEXWEGSYCDQQB-AREMUKBSSA-N 0 1 505.615 3.536 50 30 KHEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(N(C)C)cc2)cc1C ZINC000009994031 553324411 /nfs/dbraw/zinc/32/44/11/553324411.db2.gz RYEXWEGSYCDQQB-SANMLTNESA-N 0 1 505.615 3.536 50 30 KHEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC)cc2)cc1C ZINC000009994041 553324421 /nfs/dbraw/zinc/32/44/21/553324421.db2.gz PGSQZULRENZHBF-AREMUKBSSA-N 0 1 506.599 3.869 50 30 KHEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)cc2)cc1C ZINC000009994043 553324452 /nfs/dbraw/zinc/32/44/52/553324452.db2.gz PGSQZULRENZHBF-SANMLTNESA-N 0 1 506.599 3.869 50 30 KHEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(N(C)C)cc2)c(C)c1 ZINC000009994143 553324626 /nfs/dbraw/zinc/32/46/26/553324626.db2.gz GOYAFHMPIYQYSO-AREMUKBSSA-N 0 1 507.631 3.760 50 30 KHEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(N(C)C)cc2)c(C)c1 ZINC000009994144 553324615 /nfs/dbraw/zinc/32/46/15/553324615.db2.gz GOYAFHMPIYQYSO-SANMLTNESA-N 0 1 507.631 3.760 50 30 KHEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000009994145 553324709 /nfs/dbraw/zinc/32/47/09/553324709.db2.gz FVFPNVKSHXWYJI-AREMUKBSSA-N 0 1 524.614 3.712 50 30 KHEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000009994146 553324749 /nfs/dbraw/zinc/32/47/49/553324749.db2.gz FVFPNVKSHXWYJI-SANMLTNESA-N 0 1 524.614 3.712 50 30 KHEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000009994283 553324729 /nfs/dbraw/zinc/32/47/29/553324729.db2.gz OJJNHZGUJGVGMZ-AREMUKBSSA-N 0 1 524.614 3.712 50 30 KHEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000009994285 553324746 /nfs/dbraw/zinc/32/47/46/553324746.db2.gz OJJNHZGUJGVGMZ-SANMLTNESA-N 0 1 524.614 3.712 50 30 KHEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(N(C)C)cc2)c(C)c1 ZINC000009994444 553324878 /nfs/dbraw/zinc/32/48/78/553324878.db2.gz OIUUSFJIZRSOMF-AREMUKBSSA-N 0 1 505.615 3.536 50 30 KHEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(N(C)C)cc2)c(C)c1 ZINC000009994446 553324857 /nfs/dbraw/zinc/32/48/57/553324857.db2.gz OIUUSFJIZRSOMF-SANMLTNESA-N 0 1 505.615 3.536 50 30 KHEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC)cc2)c(C)c1 ZINC000009994452 553324832 /nfs/dbraw/zinc/32/48/32/553324832.db2.gz DOJQYXFXTCKXIF-AREMUKBSSA-N 0 1 506.599 3.869 50 30 KHEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)cc2)c(C)c1 ZINC000009994455 553324871 /nfs/dbraw/zinc/32/48/71/553324871.db2.gz DOJQYXFXTCKXIF-SANMLTNESA-N 0 1 506.599 3.869 50 30 KHEAMN CCOc1cccc(C(=O)C2C(=O)C(=O)N([C@@H]3CCS(=O)(=O)C3)[C@@H]2c2ccc(Br)cc2)c1 ZINC000011913853 553349124 /nfs/dbraw/zinc/34/91/24/553349124.db2.gz QNTHHBIMLXXOAN-YLJYHZDGSA-N 0 1 520.401 3.613 50 30 KHEAMN CCOc1cccc(C(=O)C2C(=O)C(=O)N([C@H]3CCS(=O)(=O)C3)[C@@H]2c2ccc(Br)cc2)c1 ZINC000011913854 553349326 /nfs/dbraw/zinc/34/93/26/553349326.db2.gz QNTHHBIMLXXOAN-FXAWDEMLSA-N 0 1 520.401 3.613 50 30 KHEAMN CCOc1cccc(C(=O)C2C(=O)C(=O)N([C@@H]3CCS(=O)(=O)C3)[C@H]2c2ccc(Br)cc2)c1 ZINC000011913855 553349303 /nfs/dbraw/zinc/34/93/03/553349303.db2.gz QNTHHBIMLXXOAN-XLIONFOSSA-N 0 1 520.401 3.613 50 30 KHEAMN CCOc1cccc(C(=O)C2C(=O)C(=O)N([C@H]3CCS(=O)(=O)C3)[C@H]2c2ccc(Br)cc2)c1 ZINC000011913856 553349335 /nfs/dbraw/zinc/34/93/35/553349335.db2.gz QNTHHBIMLXXOAN-PXNSSMCTSA-N 0 1 520.401 3.613 50 30 KHEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N([C@@H]3CCS(=O)(=O)C3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000011914360 553349292 /nfs/dbraw/zinc/34/92/92/553349292.db2.gz VHZFLRYAUNXHDM-YLJYHZDGSA-N 0 1 520.401 3.613 50 30 KHEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N([C@H]3CCS(=O)(=O)C3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000011914361 553349275 /nfs/dbraw/zinc/34/92/75/553349275.db2.gz VHZFLRYAUNXHDM-FXAWDEMLSA-N 0 1 520.401 3.613 50 30 KHEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N([C@@H]3CCS(=O)(=O)C3)[C@H]2c2cccc(Br)c2)cc1 ZINC000011914362 553349287 /nfs/dbraw/zinc/34/92/87/553349287.db2.gz VHZFLRYAUNXHDM-XLIONFOSSA-N 0 1 520.401 3.613 50 30 KHEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N([C@H]3CCS(=O)(=O)C3)[C@H]2c2cccc(Br)c2)cc1 ZINC000011914363 553349307 /nfs/dbraw/zinc/34/93/07/553349307.db2.gz VHZFLRYAUNXHDM-PXNSSMCTSA-N 0 1 520.401 3.613 50 30 KHEAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH][nH]c(=O)c2[C@H]3c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1OC ZINC000012349522 553358885 /nfs/dbraw/zinc/35/88/85/553358885.db2.gz SWHRIKIQGCKPFN-YUNKPMOVSA-N 0 1 508.487 3.713 50 30 KHEAMN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=C2C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000012524855 553383935 /nfs/dbraw/zinc/38/39/35/553383935.db2.gz BSRHJJYUNQHNJA-UHFFFAOYSA-N 0 1 512.460 3.730 50 30 KHEAMN COc1ccc(CCNC(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCN(Cc3ccccc3)CC2)cc1 ZINC000012602102 553402027 /nfs/dbraw/zinc/40/20/27/553402027.db2.gz PZCLQCCYEKJMTO-SANMLTNESA-N 0 1 520.637 3.927 50 30 KHEAMN N#Cc1cccc(NC(=O)COC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)c1 ZINC000012658280 553411273 /nfs/dbraw/zinc/41/12/73/553411273.db2.gz RFTYHGLZGDTDIL-UHFFFAOYSA-N 0 1 514.903 3.716 50 30 KHEAMN COc1ccccc1NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc([N+](=O)[O-])cc32)c([N+](=O)[O-])c1 ZINC000012659927 553411738 /nfs/dbraw/zinc/41/17/38/553411738.db2.gz WCWFHJIRWIGONC-UHFFFAOYSA-N 0 1 512.460 3.730 50 30 KHEAMN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)OCC(=O)C(C#N)c2nc(C)cs2)c1 ZINC000013113138 553448569 /nfs/dbraw/zinc/44/85/69/553448569.db2.gz GNIIBBAUIQVPRF-GOSISDBHSA-N 0 1 500.554 3.651 50 30 KHEAMN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)c1 ZINC000013113138 553448567 /nfs/dbraw/zinc/44/85/67/553448567.db2.gz GNIIBBAUIQVPRF-GOSISDBHSA-N 0 1 500.554 3.651 50 30 KHEAMN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)OCC(=O)C(C#N)c2nc(C)cs2)c1 ZINC000013113139 553448619 /nfs/dbraw/zinc/44/86/19/553448619.db2.gz GNIIBBAUIQVPRF-SFHVURJKSA-N 0 1 500.554 3.651 50 30 KHEAMN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)c1 ZINC000013113139 553448618 /nfs/dbraw/zinc/44/86/18/553448618.db2.gz GNIIBBAUIQVPRF-SFHVURJKSA-N 0 1 500.554 3.651 50 30 KHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000013596923 553477209 /nfs/dbraw/zinc/47/72/09/553477209.db2.gz ZHQAJFOGTACXLW-JOCHJYFZSA-N 0 1 515.404 3.758 50 30 KHEAMN CCOC(=O)C(CCCN1C(=O)c2ccccc2C1=O)=NNc1cc2c(cc1Br)OCCO2 ZINC000013739050 553487336 /nfs/dbraw/zinc/48/73/36/553487336.db2.gz JKVCFVKRHIQEEK-UQQQWYQISA-N 0 1 516.348 3.628 50 30 KHEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Cl)c2)c1C ZINC000013751353 553487951 /nfs/dbraw/zinc/48/79/51/553487951.db2.gz FOJGBRBIZZOAES-HSZRJFAPSA-N 0 1 530.021 3.762 50 30 KHEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Cl)c2)c1C ZINC000013751356 553487964 /nfs/dbraw/zinc/48/79/64/553487964.db2.gz FOJGBRBIZZOAES-QHCPKHFHSA-N 0 1 530.021 3.762 50 30 KHEAMN C=CCN1C(=O)/C(=C\c2c(=O)n3cccc(C)c3nc2N2CCN(Cc3ccccc3)CC2)SC1=S ZINC000013775060 553489820 /nfs/dbraw/zinc/48/98/20/553489820.db2.gz UADDGFHHCZETQQ-OQKWZONESA-N 0 1 517.680 3.712 50 30 KHEAMN CCCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000013800051 553491218 /nfs/dbraw/zinc/49/12/18/553491218.db2.gz VOVAPRHGZUJWEP-JOCHJYFZSA-N 0 1 514.630 3.984 50 30 KHEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000015228486 553529518 /nfs/dbraw/zinc/52/95/18/553529518.db2.gz GCCUINXGAATWRJ-SIBVEZHUSA-N 0 1 506.599 3.709 50 30 KHEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000015228488 553529496 /nfs/dbraw/zinc/52/94/96/553529496.db2.gz GCCUINXGAATWRJ-AFMDSPMNSA-N 0 1 506.599 3.709 50 30 KHEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000015228490 553529472 /nfs/dbraw/zinc/52/94/72/553529472.db2.gz GCCUINXGAATWRJ-BCHFMIIMSA-N 0 1 506.599 3.709 50 30 KHEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000015228492 553529529 /nfs/dbraw/zinc/52/95/29/553529529.db2.gz GCCUINXGAATWRJ-NIYFSFCBSA-N 0 1 506.599 3.709 50 30 KHEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000015837023 553537196 /nfs/dbraw/zinc/53/71/96/553537196.db2.gz GYRQDBKQKRTUBV-NFQMXDRXSA-N 0 1 518.610 3.875 50 30 KHEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000015837026 553537214 /nfs/dbraw/zinc/53/72/14/553537214.db2.gz GYRQDBKQKRTUBV-CCLHPLFOSA-N 0 1 518.610 3.875 50 30 KHEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000015837028 553537425 /nfs/dbraw/zinc/53/74/25/553537425.db2.gz GYRQDBKQKRTUBV-HRFSGMKKSA-N 0 1 518.610 3.875 50 30 KHEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000015837030 553537463 /nfs/dbraw/zinc/53/74/63/553537463.db2.gz GYRQDBKQKRTUBV-DCFHFQCYSA-N 0 1 518.610 3.875 50 30 KHEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000015837175 553537475 /nfs/dbraw/zinc/53/74/75/553537475.db2.gz AWGIJEALOLZRMZ-SIBVEZHUSA-N 0 1 506.599 3.709 50 30 KHEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000015837179 553537507 /nfs/dbraw/zinc/53/75/07/553537507.db2.gz AWGIJEALOLZRMZ-AFMDSPMNSA-N 0 1 506.599 3.709 50 30 KHEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000015837181 553537472 /nfs/dbraw/zinc/53/74/72/553537472.db2.gz AWGIJEALOLZRMZ-BCHFMIIMSA-N 0 1 506.599 3.709 50 30 KHEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000015837185 553537375 /nfs/dbraw/zinc/53/73/75/553537375.db2.gz AWGIJEALOLZRMZ-NIYFSFCBSA-N 0 1 506.599 3.709 50 30 KHEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2C[C@@H]2CCCO2)cc(OC)c1OC ZINC000015880022 553539971 /nfs/dbraw/zinc/53/99/71/553539971.db2.gz PHYBJCDXCMOAAP-KFSOKAEPSA-N 0 1 509.555 3.793 50 30 KHEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2C[C@@H]2CCCO2)cc(OC)c1OC ZINC000015880023 553539910 /nfs/dbraw/zinc/53/99/10/553539910.db2.gz PHYBJCDXCMOAAP-QJQUAVMFSA-N 0 1 509.555 3.793 50 30 KHEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)cc(OC)c1OC ZINC000015885016 553540163 /nfs/dbraw/zinc/54/01/63/553540163.db2.gz 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C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OCC=C)cc2)cc1 ZINC000020234422 553620592 /nfs/dbraw/zinc/62/05/92/553620592.db2.gz JXVCBTIUAAILQZ-SANMLTNESA-N 0 1 504.583 3.727 50 30 KHEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000020262890 553629414 /nfs/dbraw/zinc/62/94/14/553629414.db2.gz QINDJBGASUQLKH-SANMLTNESA-N 0 1 524.614 3.793 50 30 KHEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000020262893 553629383 /nfs/dbraw/zinc/62/93/83/553629383.db2.gz QINDJBGASUQLKH-AREMUKBSSA-N 0 1 524.614 3.793 50 30 KHEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000020264184 553629848 /nfs/dbraw/zinc/62/98/48/553629848.db2.gz AZZPEIZAFDHYCE-VWLOTQADSA-N 0 1 512.578 3.924 50 30 KHEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000020264187 553629910 /nfs/dbraw/zinc/62/99/10/553629910.db2.gz AZZPEIZAFDHYCE-RUZDIDTESA-N 0 1 512.578 3.924 50 30 KHEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000020264535 553629872 /nfs/dbraw/zinc/62/98/72/553629872.db2.gz HQPLXEXBQMNHFA-SANMLTNESA-N 0 1 506.599 3.949 50 30 KHEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000020264538 553629789 /nfs/dbraw/zinc/62/97/89/553629789.db2.gz HQPLXEXBQMNHFA-AREMUKBSSA-N 0 1 506.599 3.949 50 30 KHEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000020264654 553629774 /nfs/dbraw/zinc/62/97/74/553629774.db2.gz CADOKVMSCSXIDC-VWLOTQADSA-N 0 1 512.578 3.924 50 30 KHEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000020264657 553629840 /nfs/dbraw/zinc/62/98/40/553629840.db2.gz CADOKVMSCSXIDC-RUZDIDTESA-N 0 1 512.578 3.924 50 30 KHEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000020265193 553630113 /nfs/dbraw/zinc/63/01/13/553630113.db2.gz HQWXGLYDKWYYAT-QHCPKHFHSA-N 0 1 500.979 3.658 50 30 KHEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000020265197 553630013 /nfs/dbraw/zinc/63/00/13/553630013.db2.gz HQWXGLYDKWYYAT-HSZRJFAPSA-N 0 1 500.979 3.658 50 30 KHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1OC ZINC000020265308 553630018 /nfs/dbraw/zinc/63/00/18/553630018.db2.gz NTHPIQJBXLSGCA-RUZDIDTESA-N 0 1 508.615 3.912 50 30 KHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1OC ZINC000020265311 553630046 /nfs/dbraw/zinc/63/00/46/553630046.db2.gz NTHPIQJBXLSGCA-VWLOTQADSA-N 0 1 508.615 3.912 50 30 KHEAMN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000020288897 553633963 /nfs/dbraw/zinc/63/39/63/553633963.db2.gz PUYQFVNONZLYOT-SANMLTNESA-N 0 1 522.598 3.547 50 30 KHEAMN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000020288899 553633986 /nfs/dbraw/zinc/63/39/86/553633986.db2.gz PUYQFVNONZLYOT-AREMUKBSSA-N 0 1 522.598 3.547 50 30 KHEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)c(O)c1 ZINC000020309414 553636782 /nfs/dbraw/zinc/63/67/82/553636782.db2.gz NWJWHNYJWRIWGI-RUZDIDTESA-N 0 1 508.615 3.999 50 30 KHEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)c(O)c1 ZINC000020309416 553636925 /nfs/dbraw/zinc/63/69/25/553636925.db2.gz NWJWHNYJWRIWGI-VWLOTQADSA-N 0 1 508.615 3.999 50 30 KHEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)c(O)c1 ZINC000020309555 553637116 /nfs/dbraw/zinc/63/71/16/553637116.db2.gz JHQFYWJNBOFOSA-OAQYLSRUSA-N 0 1 507.370 3.618 50 30 KHEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(Cl)c(Cl)c2)c(O)c1 ZINC000020309557 553637216 /nfs/dbraw/zinc/63/72/16/553637216.db2.gz JHQFYWJNBOFOSA-NRFANRHFSA-N 0 1 507.370 3.618 50 30 KHEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)cc1OCC ZINC000020548140 553671459 /nfs/dbraw/zinc/67/14/59/553671459.db2.gz LFUSKEUUNNHGBV-VWLOTQADSA-N 0 1 510.587 3.785 50 30 KHEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)cc1OCC ZINC000020548142 553671350 /nfs/dbraw/zinc/67/13/50/553671350.db2.gz LFUSKEUUNNHGBV-RUZDIDTESA-N 0 1 510.587 3.785 50 30 KHEAMN COc1cccc(/C=C2\Oc3c(ccc([O-])c3C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)c1OC ZINC000020760981 553695920 /nfs/dbraw/zinc/69/59/20/553695920.db2.gz QHIBYGSFKZSZTP-XBMUHUNXSA-N 0 1 500.551 3.807 50 30 biogenic KHEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(N(C)C)cc2)c(C)c1 ZINC000021487003 553710172 /nfs/dbraw/zinc/71/01/72/553710172.db2.gz YMGGHUFYRQNLNK-AREMUKBSSA-N 0 1 507.631 3.760 50 30 KHEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(N(C)C)cc2)c(C)c1 ZINC000021487004 553710203 /nfs/dbraw/zinc/71/02/03/553710203.db2.gz YMGGHUFYRQNLNK-SANMLTNESA-N 0 1 507.631 3.760 50 30 KHEAMN C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(OCCC)cc2)N(CCCN2CCN(Cc3ccccc3)CC2)C1=S ZINC000022952236 553768774 /nfs/dbraw/zinc/76/87/74/553768774.db2.gz GBQQMUHSYQYLBW-NDEPHWFRSA-N 0 1 563.768 3.996 50 30 KHEAMN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OCCC)cc2)N(CCCN2CCN(Cc3ccccc3)CC2)C1=S ZINC000022952240 553768705 /nfs/dbraw/zinc/76/87/05/553768705.db2.gz GBQQMUHSYQYLBW-MUUNZHRXSA-N 0 1 563.768 3.996 50 30 KHEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000027552149 553834715 /nfs/dbraw/zinc/83/47/15/553834715.db2.gz GNKSZIJBBCZJNM-AREMUKBSSA-N 0 1 524.614 3.712 50 30 KHEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000027552153 553834665 /nfs/dbraw/zinc/83/46/65/553834665.db2.gz GNKSZIJBBCZJNM-SANMLTNESA-N 0 1 524.614 3.712 50 30 KHEAMN COc1cc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCN(C)C)cc(Br)c1O ZINC000027662448 553836060 /nfs/dbraw/zinc/83/60/60/553836060.db2.gz TWVNQGYMQMGPRM-FQEVSTJZSA-N 0 1 503.393 3.920 50 30 KHEAMN COc1cc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCN(C)C)cc(Br)c1O ZINC000027662450 553836139 /nfs/dbraw/zinc/83/61/39/553836139.db2.gz TWVNQGYMQMGPRM-HXUWFJFHSA-N 0 1 503.393 3.920 50 30 KHEAMN CCN(CC)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccc(C)cc2)cc1 ZINC000027988060 553837126 /nfs/dbraw/zinc/83/71/26/553837126.db2.gz NNUNGKOPBFTWJB-HSZRJFAPSA-N 0 1 500.617 3.640 50 30 KHEAMN CCN(CC)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2ccc(C)cc2)cc1 ZINC000027988066 553837123 /nfs/dbraw/zinc/83/71/23/553837123.db2.gz NNUNGKOPBFTWJB-QHCPKHFHSA-N 0 1 500.617 3.640 50 30 KHEAMN CCOc1cc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)[C@H](C(=O)OC)[C@@H](C)C3)cc([N+](=O)[O-])c1O ZINC000029752953 553855211 /nfs/dbraw/zinc/85/52/11/553855211.db2.gz UBFGCJJWQOWZEC-DRWCTHJISA-N 0 1 548.614 3.608 50 30 KHEAMN O=[N+]([O-])c1cc(S(=O)(=O)NC2CCCCC2)cc2c1-c1c(cc(S(=O)(=O)NC3CCCCC3)cc1[N+](=O)[O-])C2=NO ZINC000033353079 553923115 /nfs/dbraw/zinc/92/31/15/553923115.db2.gz VPUNKIAKMKXIDY-UHFFFAOYSA-N 0 1 607.667 3.932 50 30 KHEAMN CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCCCC3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000033355369 553934464 /nfs/dbraw/zinc/93/44/64/553934464.db2.gz OLIXGPGZYMFVRL-HSZRJFAPSA-N 0 1 532.062 3.655 50 30 KHEAMN CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCCCC3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000033355371 553934495 /nfs/dbraw/zinc/93/44/95/553934495.db2.gz OLIXGPGZYMFVRL-QHCPKHFHSA-N 0 1 532.062 3.655 50 30 KHEAMN C=CCOC[C@@H](O)CN1CCN(c2nc(-c3ccccc3)nc(COC)c2Cc2ccc(C)cc2)CC1 ZINC000036340054 554219788 /nfs/dbraw/zinc/21/97/88/554219788.db2.gz PJYNPFDLIBOKMD-SANMLTNESA-N 0 1 502.659 3.875 50 30 KHEAMN C=CCOC[C@H](O)CN1CCN(c2nc(-c3ccccc3)nc(COC)c2Cc2ccc(C)cc2)CC1 ZINC000036340056 554219907 /nfs/dbraw/zinc/21/99/07/554219907.db2.gz PJYNPFDLIBOKMD-AREMUKBSSA-N 0 1 502.659 3.875 50 30 KHEAMN C=CCOC[C@@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000036340252 554219875 /nfs/dbraw/zinc/21/98/75/554219875.db2.gz WQOSLFKVYZWMKX-VWLOTQADSA-N 0 1 503.603 3.637 50 30 KHEAMN C=CCOC[C@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000036340253 554219990 /nfs/dbraw/zinc/21/99/90/554219990.db2.gz WQOSLFKVYZWMKX-RUZDIDTESA-N 0 1 503.603 3.637 50 30 KHEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000038140340 554263287 /nfs/dbraw/zinc/26/32/87/554263287.db2.gz JODKTVVABYJRKC-WTYVLRPYSA-N 0 1 548.636 3.884 50 30 KHEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000038140341 554263374 /nfs/dbraw/zinc/26/33/74/554263374.db2.gz JODKTVVABYJRKC-MMTVBGGISA-N 0 1 548.636 3.884 50 30 KHEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000038140342 554263319 /nfs/dbraw/zinc/26/33/19/554263319.db2.gz JODKTVVABYJRKC-PIIWDFAUSA-N 0 1 548.636 3.884 50 30 KHEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000038140343 554263414 /nfs/dbraw/zinc/26/34/14/554263414.db2.gz JODKTVVABYJRKC-NGOKVRLYSA-N 0 1 548.636 3.884 50 30 KHEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Br)cc1 ZINC000038140395 554263276 /nfs/dbraw/zinc/26/32/76/554263276.db2.gz KLWQZLKTEVEMAE-HSZRJFAPSA-N 0 1 543.414 3.521 50 30 KHEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Br)cc1 ZINC000038140396 554263382 /nfs/dbraw/zinc/26/33/82/554263382.db2.gz KLWQZLKTEVEMAE-QHCPKHFHSA-N 0 1 543.414 3.521 50 30 KHEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)C(=O)C(=O)N2CCCOC)cc1OC ZINC000038150077 554271484 /nfs/dbraw/zinc/27/14/84/554271484.db2.gz ZKHRGQBFSOKCNK-AREMUKBSSA-N 0 1 572.680 3.883 50 30 KHEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)C(=O)C(=O)N2CCCOC)cc1OC ZINC000038150078 554271490 /nfs/dbraw/zinc/27/14/90/554271490.db2.gz ZKHRGQBFSOKCNK-SANMLTNESA-N 0 1 572.680 3.883 50 30 KHEAMN Oc1c(I)cc(I)cc1CN=Nc1nc(NCc2ccccc2)nc(N2CCOCC2)n1 ZINC000049820342 554326455 /nfs/dbraw/zinc/32/64/55/554326455.db2.gz OOVWFGIDAYBMCU-DHRITJCHSA-N 0 1 657.254 3.681 50 30 KHEAMN Oc1c(I)cc(I)cc1C=NN=c1nc(NCc2ccccc2)[nH]c(N2CCOCC2)n1 ZINC000049820342 554326452 /nfs/dbraw/zinc/32/64/52/554326452.db2.gz OOVWFGIDAYBMCU-DHRITJCHSA-N 0 1 657.254 3.681 50 30 KHEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(C(=O)OC)cc2)nc1C ZINC000053290417 554331288 /nfs/dbraw/zinc/33/12/88/554331288.db2.gz BDAHZUDDPOPEMJ-NRFANRHFSA-N 0 1 564.572 3.969 50 30 KHEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(C(=O)OC)cc2)nc1C ZINC000053290421 554331320 /nfs/dbraw/zinc/33/13/20/554331320.db2.gz BDAHZUDDPOPEMJ-OAQYLSRUSA-N 0 1 564.572 3.969 50 30 KHEAMN Cc1c(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(Br)c2)cnn1-c1ccccc1 ZINC000053290687 554331561 /nfs/dbraw/zinc/33/15/61/554331561.db2.gz MKUSULOCYFORIB-XMMPIXPASA-N 0 1 551.441 3.854 50 30 KHEAMN Cc1c(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Br)c2)cnn1-c1ccccc1 ZINC000053290690 554331603 /nfs/dbraw/zinc/33/16/03/554331603.db2.gz MKUSULOCYFORIB-DEOSSOPVSA-N 0 1 551.441 3.854 50 30 KHEAMN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc(Br)c1 ZINC000053307711 554335579 /nfs/dbraw/zinc/33/55/79/554335579.db2.gz NQRYEEMPMZPJQD-HSZRJFAPSA-N 0 1 539.430 3.706 50 30 KHEAMN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(Br)c1 ZINC000053307714 554335386 /nfs/dbraw/zinc/33/53/86/554335386.db2.gz NQRYEEMPMZPJQD-QHCPKHFHSA-N 0 1 539.430 3.706 50 30 KHEAMN Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(Br)cc1 ZINC000053319328 554337324 /nfs/dbraw/zinc/33/73/24/554337324.db2.gz GMJBJVITMABMKA-JOCHJYFZSA-N 0 1 539.430 3.624 50 30 KHEAMN Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(Br)cc1 ZINC000053319329 554337257 /nfs/dbraw/zinc/33/72/57/554337257.db2.gz GMJBJVITMABMKA-QFIPXVFZSA-N 0 1 539.430 3.624 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000053337150 554342104 /nfs/dbraw/zinc/34/21/04/554342104.db2.gz ZGPRBLITBQBLAD-FQEVSTJZSA-N 0 1 522.535 3.801 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OC)cc2)nc1C ZINC000053337154 554342012 /nfs/dbraw/zinc/34/20/12/554342012.db2.gz ZGPRBLITBQBLAD-HXUWFJFHSA-N 0 1 522.535 3.801 50 30 KHEAMN Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(Br)c1 ZINC000053340663 554344198 /nfs/dbraw/zinc/34/41/98/554344198.db2.gz TWJRZJKAYWMRGO-JOCHJYFZSA-N 0 1 539.430 3.624 50 30 KHEAMN Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(Br)c1 ZINC000053340667 554344126 /nfs/dbraw/zinc/34/41/26/554344126.db2.gz TWJRZJKAYWMRGO-QFIPXVFZSA-N 0 1 539.430 3.624 50 30 KHEAMN N#CC(C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000055412852 554350704 /nfs/dbraw/zinc/35/07/04/554350704.db2.gz IICJJSOVCFGRNA-JOCHJYFZSA-N 0 1 512.614 3.737 50 30 KHEAMN N#CC(C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000055412854 554350596 /nfs/dbraw/zinc/35/05/96/554350596.db2.gz IICJJSOVCFGRNA-QFIPXVFZSA-N 0 1 512.614 3.737 50 30 KHEAMN CCCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000057054022 554351955 /nfs/dbraw/zinc/35/19/55/554351955.db2.gz VOVAPRHGZUJWEP-QFIPXVFZSA-N 0 1 514.630 3.984 50 30 KHEAMN COc1ccc(CCNC(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057063734 554352348 /nfs/dbraw/zinc/35/23/48/554352348.db2.gz PZCLQCCYEKJMTO-AREMUKBSSA-N 0 1 520.637 3.927 50 30 KHEAMN CCOC(=O)N1CCN(Cc2c3c(c(C)cc2O)C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)O3)CC1 ZINC000057312314 554353704 /nfs/dbraw/zinc/35/37/04/554353704.db2.gz DDJIVSTUKQFABR-NDENLUEZSA-N 0 1 512.559 3.617 50 30 KHEAMN N#CC(C(=O)NCc1ccccc1)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000061859378 554505838 /nfs/dbraw/zinc/50/58/38/554505838.db2.gz OIKIQVPBIVSVPI-QHCPKHFHSA-N 0 1 520.593 3.604 50 30 KHEAMN N#CC(C(=O)NCc1ccccc1)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000061859380 554505921 /nfs/dbraw/zinc/50/59/21/554505921.db2.gz OIKIQVPBIVSVPI-HSZRJFAPSA-N 0 1 520.593 3.604 50 30 KHEAMN CCOc1cc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)[C@@H](C(=O)OC)[C@H](C)C3)cc([N+](=O)[O-])c1O ZINC000067283923 554530170 /nfs/dbraw/zinc/53/01/70/554530170.db2.gz UBFGCJJWQOWZEC-YIILKADPSA-N 0 1 548.614 3.608 50 30 KHEAMN CCOc1cc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)[C@@H](C(=O)OC)[C@@H](C)C3)cc([N+](=O)[O-])c1O ZINC000067284054 554530219 /nfs/dbraw/zinc/53/02/19/554530219.db2.gz UBFGCJJWQOWZEC-JBZDTAIVSA-N 0 1 548.614 3.608 50 30 KHEAMN COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000070697284 553612521 /nfs/dbraw/zinc/61/25/21/553612521.db2.gz UCEHSTVERPUINM-XOTAGTGESA-N 0 1 539.673 3.834 50 30 biogenic KHEAMN COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000070697292 553612422 /nfs/dbraw/zinc/61/24/22/553612422.db2.gz UCEHSTVERPUINM-MQCKLZEISA-N 0 1 539.673 3.834 50 30 biogenic KHEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(C)C)cc(Br)c1O ZINC000072189903 553645642 /nfs/dbraw/zinc/64/56/42/553645642.db2.gz QUUXULHUIHFDGJ-ASSNKEHSSA-N 0 1 531.403 3.627 50 30 KHEAMN CS(=O)(=O)N(CCC#N)Cc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)o1 ZINC000084688253 553678038 /nfs/dbraw/zinc/67/80/38/553678038.db2.gz WWQVQEAUCKSSRM-GDNBJRDFSA-N 0 1 527.411 3.933 50 30 KHEAMN O=C(c1ccc2c(c1)OCO2)C1C(=O)C(=O)N(Cc2ccc3c(c2)OCO3)[C@@H]1c1ccc2c(c1)OCO2 ZINC000085413542 553681058 /nfs/dbraw/zinc/68/10/58/553681058.db2.gz TYJYMROWLCHTNO-XMMPIXPASA-N 0 1 501.447 3.651 50 30 KHEAMN O=C(c1ccc2c(c1)OCO2)C1C(=O)C(=O)N(Cc2ccc3c(c2)OCO3)[C@H]1c1ccc2c(c1)OCO2 ZINC000085413547 553680938 /nfs/dbraw/zinc/68/09/38/553680938.db2.gz TYJYMROWLCHTNO-DEOSSOPVSA-N 0 1 501.447 3.651 50 30 KHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@@H]2c2ccc3c(c2)OCO3)cc1OC ZINC000085413565 553681027 /nfs/dbraw/zinc/68/10/27/553681027.db2.gz NIBLBALIWZDOAD-RUZDIDTESA-N 0 1 517.490 3.940 50 30 KHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@H]2c2ccc3c(c2)OCO3)cc1OC ZINC000085413568 553681018 /nfs/dbraw/zinc/68/10/18/553681018.db2.gz NIBLBALIWZDOAD-VWLOTQADSA-N 0 1 517.490 3.940 50 30 KHEAMN Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)n1 ZINC000085417075 553681359 /nfs/dbraw/zinc/68/13/59/553681359.db2.gz RZOFQGMFGURRPH-UHFFFAOYSA-N 0 1 508.507 3.602 50 30 KHEAMN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000095201988 553700780 /nfs/dbraw/zinc/70/07/80/553700780.db2.gz JQAGCCUVUJTOIP-FPTDNZKUSA-N 0 1 514.556 3.922 50 30 KHEAMN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000095201989 553700756 /nfs/dbraw/zinc/70/07/56/553700756.db2.gz JQAGCCUVUJTOIP-RCDICMHDSA-N 0 1 514.556 3.922 50 30 KHEAMN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000095201990 553700750 /nfs/dbraw/zinc/70/07/50/553700750.db2.gz JQAGCCUVUJTOIP-PEBXRYMYSA-N 0 1 514.556 3.922 50 30 KHEAMN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000095201991 553700664 /nfs/dbraw/zinc/70/06/64/553700664.db2.gz JQAGCCUVUJTOIP-JLCFBVMHSA-N 0 1 514.556 3.922 50 30 KHEAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@]1(CC(=O)N2)c2cc(C)ccc2N(Cc2cccc(C#N)c2)C1=O ZINC000095474499 553701757 /nfs/dbraw/zinc/70/17/57/553701757.db2.gz DIXRUHWHWRHCIA-MUUNZHRXSA-N 0 1 515.537 3.852 50 30 KHEAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@]1(CC(=O)N2)c2cc(C)ccc2N(Cc2cccc(C#N)c2)C1=O ZINC000095474500 553701745 /nfs/dbraw/zinc/70/17/45/553701745.db2.gz DIXRUHWHWRHCIA-NDEPHWFRSA-N 0 1 515.537 3.852 50 30 KHEAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@]1(CC(=O)N2)c2ccccc2N(Cc2cccc(C#N)c2)C1=O ZINC000095476082 553701777 /nfs/dbraw/zinc/70/17/77/553701777.db2.gz YKYFPBWVVNYITL-HHHXNRCGSA-N 0 1 501.510 3.543 50 30 KHEAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@]1(CC(=O)N2)c2ccccc2N(Cc2cccc(C#N)c2)C1=O ZINC000095476083 553701734 /nfs/dbraw/zinc/70/17/34/553701734.db2.gz YKYFPBWVVNYITL-MHZLTWQESA-N 0 1 501.510 3.543 50 30 KHEAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@]1(CC(=O)N2)c2ccccc2N(Cc2ccc(C#N)cc2)C1=O ZINC000095478483 553701725 /nfs/dbraw/zinc/70/17/25/553701725.db2.gz WUYRRFWDKPOFQJ-HHHXNRCGSA-N 0 1 501.510 3.543 50 30 KHEAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@]1(CC(=O)N2)c2ccccc2N(Cc2ccc(C#N)cc2)C1=O ZINC000095478484 553701841 /nfs/dbraw/zinc/70/18/41/553701841.db2.gz WUYRRFWDKPOFQJ-MHZLTWQESA-N 0 1 501.510 3.543 50 30 KHEAMN C=C(CC(C)=O)C1=c2c(c(C)c(O)c3c2=C(OC(C)=O)C(C)=C(NC(=O)C(C)=CC=C[C@@H](C)[C@H](O)[C@@H](C)[C@H]2O[C@@H](O)[C@@H](C)[C@@H](O)[C@H]2C(=O)OC)C3=O)OCO1 ZINC000095551458 553704344 /nfs/dbraw/zinc/70/43/44/553704344.db2.gz MIUJOEGCYRFQIS-CIOWKSOTSA-N 0 1 767.825 3.924 50 30 KHEAMN C=C(CC(C)=O)C1=c2c(c(C)c(O)c3c2=C(OC(C)=O)C(C)=C(NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@H]2O[C@@H](O)[C@@H](C)[C@@H](O)[C@H]2C(=O)OC)C3=O)OCO1 ZINC000095551459 553704349 /nfs/dbraw/zinc/70/43/49/553704349.db2.gz MIUJOEGCYRFQIS-QNGMWQRTSA-N 0 1 767.825 3.924 50 30 KHEAMN C=C(CC(C)=O)C1=c2c(c(C)c(O)c3c2=C(OC(C)=O)C(C)=C(NC(=O)C(C)=CC=C[C@@H](C)[C@@H](O)[C@@H](C)[C@H]2O[C@@H](O)[C@@H](C)[C@@H](O)[C@H]2C(=O)OC)C3=O)OCO1 ZINC000095551460 553704293 /nfs/dbraw/zinc/70/42/93/553704293.db2.gz MIUJOEGCYRFQIS-NBQHYCHDSA-N 0 1 767.825 3.924 50 30 KHEAMN C=C(CC(C)=O)C1=c2c(c(C)c(O)c3c2=C(OC(C)=O)C(C)=C(NC(=O)C(C)=CC=C[C@H](C)[C@@H](O)[C@@H](C)[C@H]2O[C@@H](O)[C@@H](C)[C@@H](O)[C@H]2C(=O)OC)C3=O)OCO1 ZINC000095551461 553704318 /nfs/dbraw/zinc/70/43/18/553704318.db2.gz MIUJOEGCYRFQIS-ZXWCFEQDSA-N 0 1 767.825 3.924 50 30 KHEAMN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000096321732 553751781 /nfs/dbraw/zinc/75/17/81/553751781.db2.gz RGHSCMAKULTYNE-NSYGIPOTSA-N 0 1 503.555 3.892 50 30 KHEAMN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000096321733 553751824 /nfs/dbraw/zinc/75/18/24/553751824.db2.gz RGHSCMAKULTYNE-GKVSMKOHSA-N 0 1 503.555 3.892 50 30 KHEAMN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000096321734 553751772 /nfs/dbraw/zinc/75/17/72/553751772.db2.gz RGHSCMAKULTYNE-CRICUBBOSA-N 0 1 503.555 3.892 50 30 KHEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@@H]2c2cc3c(c(OC)c2)OCO3)c1 ZINC000096335837 553752321 /nfs/dbraw/zinc/75/23/21/553752321.db2.gz CTBOIWJXKHMFHM-XMMPIXPASA-N 0 1 517.490 3.940 50 30 KHEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@H]2c2cc3c(c(OC)c2)OCO3)c1 ZINC000096335838 553752375 /nfs/dbraw/zinc/75/23/75/553752375.db2.gz CTBOIWJXKHMFHM-DEOSSOPVSA-N 0 1 517.490 3.940 50 30 KHEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)C(=O)C(=O)N2Cc2ccncc2)cc(OC)c1OC ZINC000096335857 553752330 /nfs/dbraw/zinc/75/23/30/553752330.db2.gz WRHDZCCOZWNVBX-HSZRJFAPSA-N 0 1 504.495 3.615 50 30 KHEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)C(=O)C(=O)N2Cc2ccncc2)cc(OC)c1OC ZINC000096335858 553752386 /nfs/dbraw/zinc/75/23/86/553752386.db2.gz WRHDZCCOZWNVBX-QHCPKHFHSA-N 0 1 504.495 3.615 50 30 KHEAMN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000097939661 553760226 /nfs/dbraw/zinc/76/02/26/553760226.db2.gz DAGDKBZJUOWHHN-LMKMVOKYSA-N 0 1 538.553 3.869 50 30 KHEAMN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000097939662 553760266 /nfs/dbraw/zinc/76/02/66/553760266.db2.gz DAGDKBZJUOWHHN-IVCQMTBJSA-N 0 1 538.553 3.869 50 30 KHEAMN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000097939663 553760175 /nfs/dbraw/zinc/76/01/75/553760175.db2.gz DAGDKBZJUOWHHN-CPJLOUKISA-N 0 1 538.553 3.869 50 30 KHEAMN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000097939664 553760215 /nfs/dbraw/zinc/76/02/15/553760215.db2.gz DAGDKBZJUOWHHN-PUAOIOHZSA-N 0 1 538.553 3.869 50 30 KHEAMN N#CC(C(=O)NCCc1ccccc1)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000097951113 553807294 /nfs/dbraw/zinc/80/72/94/553807294.db2.gz OUHJRWAOFBKJRQ-DEOSSOPVSA-N 0 1 534.620 3.647 50 30 KHEAMN N#CC(C(=O)NCCc1ccccc1)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000097951114 553807285 /nfs/dbraw/zinc/80/72/85/553807285.db2.gz OUHJRWAOFBKJRQ-XMMPIXPASA-N 0 1 534.620 3.647 50 30 KHEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc(Br)c1 ZINC000097952189 553813819 /nfs/dbraw/zinc/81/38/19/553813819.db2.gz PWWIKBGTKINBPW-HSZRJFAPSA-N 0 1 543.414 3.521 50 30 KHEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(Br)c1 ZINC000097952190 553813839 /nfs/dbraw/zinc/81/38/39/553813839.db2.gz PWWIKBGTKINBPW-QHCPKHFHSA-N 0 1 543.414 3.521 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccc(C(=O)OC)cc2)nc1C ZINC000097952542 553816690 /nfs/dbraw/zinc/81/66/90/553816690.db2.gz ALKOUDKUZAPSGQ-LJQANCHMSA-N 0 1 522.535 3.816 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccc(C(=O)OC)cc2)nc1C ZINC000097952543 553816666 /nfs/dbraw/zinc/81/66/66/553816666.db2.gz ALKOUDKUZAPSGQ-IBGZPJMESA-N 0 1 522.535 3.816 50 30 KHEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000097952966 553818185 /nfs/dbraw/zinc/81/81/85/553818185.db2.gz WCNDOUBUVIDJCX-OAQYLSRUSA-N 0 1 534.546 3.995 50 30 KHEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000097952967 553818190 /nfs/dbraw/zinc/81/81/90/553818190.db2.gz WCNDOUBUVIDJCX-NRFANRHFSA-N 0 1 534.546 3.995 50 30 KHEAMN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000097953108 553819436 /nfs/dbraw/zinc/81/94/36/553819436.db2.gz KRFQKFOVSGPBCV-HHHXNRCGSA-N 0 1 536.625 3.937 50 30 KHEAMN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000097953109 553819447 /nfs/dbraw/zinc/81/94/47/553819447.db2.gz KRFQKFOVSGPBCV-MHZLTWQESA-N 0 1 536.625 3.937 50 30 KHEAMN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000097953160 553819662 /nfs/dbraw/zinc/81/96/62/553819662.db2.gz MPQGTPNZTDFSMM-HHHXNRCGSA-N 0 1 536.625 3.793 50 30 KHEAMN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000097953161 553819724 /nfs/dbraw/zinc/81/97/24/553819724.db2.gz MPQGTPNZTDFSMM-MHZLTWQESA-N 0 1 536.625 3.793 50 30 KHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000097953959 553820340 /nfs/dbraw/zinc/82/03/40/553820340.db2.gz JQIVXDLQOVRMKQ-HXUWFJFHSA-N 0 1 534.359 3.549 50 30 KHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000097953960 553820281 /nfs/dbraw/zinc/82/02/81/553820281.db2.gz JQIVXDLQOVRMKQ-FQEVSTJZSA-N 0 1 534.359 3.549 50 30 KHEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(OC)c(OC)c2)c1C ZINC000097954410 553822834 /nfs/dbraw/zinc/82/28/34/553822834.db2.gz GIARQJDDXDPKLE-XMMPIXPASA-N 0 1 536.585 3.691 50 30 KHEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(OC)c(OC)c2)c1C ZINC000097954411 553822856 /nfs/dbraw/zinc/82/28/56/553822856.db2.gz GIARQJDDXDPKLE-DEOSSOPVSA-N 0 1 536.585 3.691 50 30 KHEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000097954428 553823198 /nfs/dbraw/zinc/82/31/98/553823198.db2.gz GWIDEMCVTGCUGI-UZTOHYMASA-N 0 1 536.625 3.718 50 30 KHEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000097954429 553823214 /nfs/dbraw/zinc/82/32/14/553823214.db2.gz GWIDEMCVTGCUGI-PPHZAIPVSA-N 0 1 536.625 3.718 50 30 KHEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000097954430 553823141 /nfs/dbraw/zinc/82/31/41/553823141.db2.gz GWIDEMCVTGCUGI-XHCCPWGMSA-N 0 1 536.625 3.718 50 30 KHEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000097954431 553823149 /nfs/dbraw/zinc/82/31/49/553823149.db2.gz GWIDEMCVTGCUGI-WINIVTDRSA-N 0 1 536.625 3.718 50 30 KHEAMN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Br)cc1 ZINC000097954713 553825024 /nfs/dbraw/zinc/82/50/24/553825024.db2.gz ARSAIQCOMPMBOK-HSZRJFAPSA-N 0 1 539.430 3.706 50 30 KHEAMN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Br)cc1 ZINC000097954714 553824993 /nfs/dbraw/zinc/82/49/93/553824993.db2.gz ARSAIQCOMPMBOK-QHCPKHFHSA-N 0 1 539.430 3.706 50 30 KHEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)C(=O)C(=O)N2CCOC)cc1 ZINC000097954878 553826418 /nfs/dbraw/zinc/82/64/18/553826418.db2.gz XQURBBSYZDGBAP-RUZDIDTESA-N 0 1 540.638 3.651 50 30 KHEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)C(=O)C(=O)N2CCOC)cc1 ZINC000097954879 553826402 /nfs/dbraw/zinc/82/64/02/553826402.db2.gz XQURBBSYZDGBAP-VWLOTQADSA-N 0 1 540.638 3.651 50 30 KHEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(C)C)cc(Br)c1O ZINC000097955164 553829494 /nfs/dbraw/zinc/82/94/94/553829494.db2.gz QUUXULHUIHFDGJ-LRTDBIEQSA-N 0 1 531.403 3.627 50 30 KHEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(C)C)cc(Br)c1O ZINC000097955165 553829478 /nfs/dbraw/zinc/82/94/78/553829478.db2.gz QUUXULHUIHFDGJ-YEJXKQKISA-N 0 1 531.403 3.627 50 30 KHEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(C)C)cc(Br)c1O ZINC000097955166 553829355 /nfs/dbraw/zinc/82/93/55/553829355.db2.gz QUUXULHUIHFDGJ-ZSEKCTLFSA-N 0 1 531.403 3.627 50 30 KHEAMN COc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)C(=O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC ZINC000097957028 553843872 /nfs/dbraw/zinc/84/38/72/553843872.db2.gz MOIORNQIIQXXPJ-RUZDIDTESA-N 0 1 558.603 3.549 50 30 KHEAMN COc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)C(=O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC ZINC000097957029 553843853 /nfs/dbraw/zinc/84/38/53/553843853.db2.gz MOIORNQIIQXXPJ-VWLOTQADSA-N 0 1 558.603 3.549 50 30 KHEAMN Cc1cc(C)nc(N=C(NCCc2ccc(S(N)(=O)=O)cc2)NC(=S)Nc2ccc(F)c(Cl)c2)n1 ZINC000097962198 553883582 /nfs/dbraw/zinc/88/35/82/553883582.db2.gz PTJRVCFHZQHYQL-UHFFFAOYSA-N 0 1 536.058 3.531 50 30 KHEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)cc(Br)c1O ZINC000097966960 553912295 /nfs/dbraw/zinc/91/22/95/553912295.db2.gz TUDWJFPXOQOYEG-GYCJOSAFSA-N 0 1 587.467 3.787 50 30 KHEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)cc(Br)c1O ZINC000097966961 553912206 /nfs/dbraw/zinc/91/22/06/553912206.db2.gz TUDWJFPXOQOYEG-FYSMJZIKSA-N 0 1 587.467 3.787 50 30 KHEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)cc(Br)c1O ZINC000097966962 553912307 /nfs/dbraw/zinc/91/23/07/553912307.db2.gz TUDWJFPXOQOYEG-VOIUYBSRSA-N 0 1 587.467 3.787 50 30 KHEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)cc(Br)c1O ZINC000097966963 553912383 /nfs/dbraw/zinc/91/23/83/553912383.db2.gz TUDWJFPXOQOYEG-UPCLLVRISA-N 0 1 587.467 3.787 50 30 KHEAMN CN(C)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000097967261 553915868 /nfs/dbraw/zinc/91/58/68/553915868.db2.gz GGMKKHMIDDPAMA-QHCPKHFHSA-N 0 1 582.506 3.544 50 30 KHEAMN CN(C)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000097967262 553915826 /nfs/dbraw/zinc/91/58/26/553915826.db2.gz GGMKKHMIDDPAMA-HSZRJFAPSA-N 0 1 582.506 3.544 50 30 KHEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000097968297 553930377 /nfs/dbraw/zinc/93/03/77/553930377.db2.gz ZPZFMMFDEXZZOG-GDLZYMKVSA-N 0 1 556.615 3.947 50 30 KHEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000097968298 553930403 /nfs/dbraw/zinc/93/04/03/553930403.db2.gz ZPZFMMFDEXZZOG-LJAQVGFWSA-N 0 1 556.615 3.947 50 30 KHEAMN COc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)C(=O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC ZINC000097969515 553941859 /nfs/dbraw/zinc/94/18/59/553941859.db2.gz MKDHUUOIFUMSHZ-SANMLTNESA-N 0 1 554.640 3.719 50 30 KHEAMN COc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)C(=O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC ZINC000097969516 553941917 /nfs/dbraw/zinc/94/19/17/553941917.db2.gz MKDHUUOIFUMSHZ-AREMUKBSSA-N 0 1 554.640 3.719 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(C(=O)OC)cc2)nc1C ZINC000097969731 553944117 /nfs/dbraw/zinc/94/41/17/553944117.db2.gz AAQUXUGRDVNUBC-HXUWFJFHSA-N 0 1 550.545 3.579 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(C(=O)OC)cc2)nc1C ZINC000097969732 553944159 /nfs/dbraw/zinc/94/41/59/553944159.db2.gz AAQUXUGRDVNUBC-FQEVSTJZSA-N 0 1 550.545 3.579 50 30 KHEAMN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000097970283 553952140 /nfs/dbraw/zinc/95/21/40/553952140.db2.gz COJQEWIZHYBNFH-MUUNZHRXSA-N 0 1 566.651 3.946 50 30 KHEAMN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000097970284 553952146 /nfs/dbraw/zinc/95/21/46/553952146.db2.gz COJQEWIZHYBNFH-NDEPHWFRSA-N 0 1 566.651 3.946 50 30 KHEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000097970743 553958347 /nfs/dbraw/zinc/95/83/47/553958347.db2.gz XBOBAVNPHBWEJC-HHHXNRCGSA-N 0 1 552.624 3.556 50 30 KHEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000097970744 553958214 /nfs/dbraw/zinc/95/82/14/553958214.db2.gz XBOBAVNPHBWEJC-MHZLTWQESA-N 0 1 552.624 3.556 50 30 KHEAMN O=C1Nc2ccc([N+](=O)[O-])cc2C1=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000097980701 553990253 /nfs/dbraw/zinc/99/02/53/553990253.db2.gz SNZLZKCZUHKRFY-UHFFFAOYSA-N 0 1 516.879 3.726 50 30 KHEAMN Cc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4nc3C(C#N)S(=O)(=O)c3ccccc3)CC2)cc1C ZINC000097982690 554004688 /nfs/dbraw/zinc/00/46/88/554004688.db2.gz HJZFOYBJFBGOCU-AREMUKBSSA-N 0 1 561.689 3.796 50 30 KHEAMN Cc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4nc3C(C#N)S(=O)(=O)c3ccccc3)CC2)cc1C ZINC000097982691 554004660 /nfs/dbraw/zinc/00/46/60/554004660.db2.gz HJZFOYBJFBGOCU-SANMLTNESA-N 0 1 561.689 3.796 50 30 KHEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cc(Br)c(O)c(OC)c2)cc1 ZINC000097987826 554027247 /nfs/dbraw/zinc/02/72/47/554027247.db2.gz LEJDXOBLYHMAPM-OAQYLSRUSA-N 0 1 531.403 3.868 50 30 KHEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cc(Br)c(O)c(OC)c2)cc1 ZINC000097987827 554027292 /nfs/dbraw/zinc/02/72/92/554027292.db2.gz LEJDXOBLYHMAPM-NRFANRHFSA-N 0 1 531.403 3.868 50 30 KHEAMN COc1ccc(CNC(=O)C(C#N)c2nc3ccccc3nc2N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000098000015 554047913 /nfs/dbraw/zinc/04/79/13/554047913.db2.gz OPESZMHDMOAQAE-DEOSSOPVSA-N 0 1 550.619 3.613 50 30 KHEAMN COc1ccc(CNC(=O)C(C#N)c2nc3ccccc3nc2N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000098000016 554047823 /nfs/dbraw/zinc/04/78/23/554047823.db2.gz OPESZMHDMOAQAE-XMMPIXPASA-N 0 1 550.619 3.613 50 30 KHEAMN COc1ccc(CCNC(=O)C(C#N)c2nc3ccccc3nc2N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000098000050 554048199 /nfs/dbraw/zinc/04/81/99/554048199.db2.gz JARJPXUIQLEDIZ-VWLOTQADSA-N 0 1 564.646 3.655 50 30 KHEAMN COc1ccc(CCNC(=O)C(C#N)c2nc3ccccc3nc2N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000098000051 554048049 /nfs/dbraw/zinc/04/80/49/554048049.db2.gz JARJPXUIQLEDIZ-RUZDIDTESA-N 0 1 564.646 3.655 50 30 KHEAMN COc1ccc(CCNC(=O)C(C#N)c2nc3ccccc3nc2N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC ZINC000098000269 554049506 /nfs/dbraw/zinc/04/95/06/554049506.db2.gz BCNOPEKIQWHXQS-DEOSSOPVSA-N 0 1 594.672 3.664 50 30 KHEAMN COc1ccc(CCNC(=O)C(C#N)c2nc3ccccc3nc2N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC ZINC000098000270 554049525 /nfs/dbraw/zinc/04/95/25/554049525.db2.gz BCNOPEKIQWHXQS-XMMPIXPASA-N 0 1 594.672 3.664 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OC)c2OC)nc1C ZINC000098046565 554140727 /nfs/dbraw/zinc/14/07/27/554140727.db2.gz LIBHOQRHXRWPBT-HXUWFJFHSA-N 0 1 552.561 3.809 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OC)c2OC)nc1C ZINC000098046566 554140565 /nfs/dbraw/zinc/14/05/65/554140565.db2.gz LIBHOQRHXRWPBT-FQEVSTJZSA-N 0 1 552.561 3.809 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2ccc(C(=O)OC)cc2)nc1C ZINC000098046625 554141495 /nfs/dbraw/zinc/14/14/95/554141495.db2.gz YIRCGCATNXTCFA-MRXNPFEDSA-N 0 1 527.580 3.881 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2ccc(C(=O)OC)cc2)nc1C ZINC000098046626 554141636 /nfs/dbraw/zinc/14/16/36/554141636.db2.gz YIRCGCATNXTCFA-INIZCTEOSA-N 0 1 527.580 3.881 50 30 KHEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000098047044 554146138 /nfs/dbraw/zinc/14/61/38/554146138.db2.gz QILSRHYTVWZNHW-HHHXNRCGSA-N 0 1 536.625 3.878 50 30 KHEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000098047045 554146194 /nfs/dbraw/zinc/14/61/94/554146194.db2.gz QILSRHYTVWZNHW-MHZLTWQESA-N 0 1 536.625 3.878 50 30 KHEAMN CN(C)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000098047192 554147668 /nfs/dbraw/zinc/14/76/68/554147668.db2.gz ZCPWLVNDXQZGSS-SSEXGKCCSA-N 0 1 619.740 3.817 50 30 KHEAMN CN(C)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000098047193 554147675 /nfs/dbraw/zinc/14/76/75/554147675.db2.gz ZCPWLVNDXQZGSS-PMERELPUSA-N 0 1 619.740 3.817 50 30 KHEAMN COc1ccc([N+](=O)[O-])cc1C=NN=c1nc(Nc2cccc(Br)c2)[nH]c(N2CCOCC2)n1 ZINC000100028370 554184230 /nfs/dbraw/zinc/18/42/30/554184230.db2.gz YDDOTWMHYBPQFN-QRVIBDJDSA-N 0 1 529.355 3.577 50 30 KHEAMN COc1c(C=NN=c2nc(Nc3cccc(Br)c3)[nH]c(N3CCOCC3)n2)cccc1[N+](=O)[O-] ZINC000100028371 554184222 /nfs/dbraw/zinc/18/42/22/554184222.db2.gz KEZLYWNFHHZAOY-QRVIBDJDSA-N 0 1 529.355 3.577 50 30 KHEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)C(=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc2c1OCO2 ZINC000100255323 554264105 /nfs/dbraw/zinc/26/41/05/554264105.db2.gz JFTYVTHACWVYOX-XMMPIXPASA-N 0 1 531.473 3.660 50 30 KHEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)C(=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc2c1OCO2 ZINC000100255326 554264036 /nfs/dbraw/zinc/26/40/36/554264036.db2.gz JFTYVTHACWVYOX-DEOSSOPVSA-N 0 1 531.473 3.660 50 30 KHEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)C(=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000100255365 554264114 /nfs/dbraw/zinc/26/41/14/554264114.db2.gz KNZPEPMMZFKWEN-RUZDIDTESA-N 0 1 547.516 3.948 50 30 KHEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)C(=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000100255371 554264061 /nfs/dbraw/zinc/26/40/61/554264061.db2.gz KNZPEPMMZFKWEN-VWLOTQADSA-N 0 1 547.516 3.948 50 30 KHEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc2c1OCO2 ZINC000100255783 554264304 /nfs/dbraw/zinc/26/43/04/554264304.db2.gz DJVXJUCJUUZLDN-RUZDIDTESA-N 0 1 545.500 3.702 50 30 KHEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc2c1OCO2 ZINC000100255787 554264413 /nfs/dbraw/zinc/26/44/13/554264413.db2.gz DJVXJUCJUUZLDN-VWLOTQADSA-N 0 1 545.500 3.702 50 30 KHEAMN COc1cc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc2c1OCO2 ZINC000100255800 554264359 /nfs/dbraw/zinc/26/43/59/554264359.db2.gz SWRHPUQGCCRWAW-RUZDIDTESA-N 0 1 547.516 3.948 50 30 KHEAMN COc1cc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc2c1OCO2 ZINC000100255802 554264385 /nfs/dbraw/zinc/26/43/85/554264385.db2.gz SWRHPUQGCCRWAW-VWLOTQADSA-N 0 1 547.516 3.948 50 30 KHEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000100255836 554264330 /nfs/dbraw/zinc/26/43/30/554264330.db2.gz PWIFSOHSABQBON-AREMUKBSSA-N 0 1 561.543 3.991 50 30 KHEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000100255839 554264335 /nfs/dbraw/zinc/26/43/35/554264335.db2.gz PWIFSOHSABQBON-SANMLTNESA-N 0 1 561.543 3.991 50 30 KHEAMN COc1ccccc1N1CCN(/N=C/c2cc(I)cc(I)c2O)CC1 ZINC000100290219 554283373 /nfs/dbraw/zinc/28/33/73/554283373.db2.gz UUHLNZNUSPICLO-CIAFOILYSA-N 0 1 563.177 3.766 50 30 KHEAMN O=[N+]([O-])c1ccc([O-])c(CN=Nc2nc(OCCC(F)(F)F)nc(N3CC[NH+](Cc4ccccc4)CC3)n2)c1 ZINC000100459891 554397567 /nfs/dbraw/zinc/39/75/67/554397567.db2.gz DDQCNPHPGATOEF-RWPZCVJISA-N 0 1 546.510 3.585 50 30 KHEAMN Oc1c(I)cc(I)cc1/C=N/N1CCN(c2ccccc2)CC1 ZINC000100460506 554397704 /nfs/dbraw/zinc/39/77/04/554397704.db2.gz YLZYATGHAZKGKI-UDWIEESQSA-N 0 1 533.151 3.758 50 30 KHEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCn2ccnc2)[C@@H]1c1cccc(Br)c1 ZINC000100610327 554432632 /nfs/dbraw/zinc/43/26/32/554432632.db2.gz AOAMIPJBPVZBRN-HOGKFDNTSA-N 0 1 524.371 3.929 50 30 KHEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCn2ccnc2)[C@H]1c1cccc(Br)c1 ZINC000100610331 554432645 /nfs/dbraw/zinc/43/26/45/554432645.db2.gz AOAMIPJBPVZBRN-MOBKVPTQSA-N 0 1 524.371 3.929 50 30 KHEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000100673116 554442177 /nfs/dbraw/zinc/44/21/77/554442177.db2.gz GDNZFHRRQXJYDP-HHHXNRCGSA-N 0 1 536.625 3.878 50 30 KHEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000100673118 554442269 /nfs/dbraw/zinc/44/22/69/554442269.db2.gz GDNZFHRRQXJYDP-MHZLTWQESA-N 0 1 536.625 3.878 50 30 KHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Br)c2)cc1F ZINC000100673159 554442297 /nfs/dbraw/zinc/44/22/97/554442297.db2.gz JLDXZSMEHQELEM-JOCHJYFZSA-N 0 1 533.394 3.897 50 30 KHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Br)c2)cc1F ZINC000100673160 554442284 /nfs/dbraw/zinc/44/22/84/554442284.db2.gz JLDXZSMEHQELEM-QFIPXVFZSA-N 0 1 533.394 3.897 50 30 KHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Br)cc2)cc1F ZINC000100673163 554442217 /nfs/dbraw/zinc/44/22/17/554442217.db2.gz JQGWQLNTFSCVAW-JOCHJYFZSA-N 0 1 533.394 3.897 50 30 KHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Br)cc2)cc1F ZINC000100673165 554442312 /nfs/dbraw/zinc/44/23/12/554442312.db2.gz JQGWQLNTFSCVAW-QFIPXVFZSA-N 0 1 533.394 3.897 50 30 KHEAMN Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2CN=Nc2cc(N(C)C)nc(N(C)C)n2)cc1 ZINC000100786471 554472714 /nfs/dbraw/zinc/47/27/14/554472714.db2.gz QSTSIVMRVIBSNC-ZVHZXABRSA-N 0 1 533.452 3.893 50 30 KHEAMN Oc1c(I)cc(I)cc1C=NN1C(=S)N=NC1COc1ccccc1 ZINC000100852838 554493141 /nfs/dbraw/zinc/49/31/41/554493141.db2.gz OTPVPMLXUGYVCL-UFWORHAWSA-N 0 1 578.173 3.943 50 30 KHEAMN Oc1c(I)cc(I)cc1/C=N/N1CCN(Cc2ccccc2)CC1 ZINC000100857728 554494097 /nfs/dbraw/zinc/49/40/97/554494097.db2.gz HJYWSHICQQSOGO-CIAFOILYSA-N 0 1 547.178 3.753 50 30 KHEAMN Cc1nc2ccccc2c(=O)n1/N=C/c1cc(I)cc(I)c1O ZINC000100871592 554499614 /nfs/dbraw/zinc/49/96/14/554499614.db2.gz YWGYMLMQEZYUIQ-UFWORHAWSA-N 0 1 531.091 3.502 50 30 KHEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000100902158 554515034 /nfs/dbraw/zinc/51/50/34/554515034.db2.gz ALDFRBRJKGRUHM-HHHXNRCGSA-N 0 1 578.643 3.725 50 30 KHEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000100902159 554515029 /nfs/dbraw/zinc/51/50/29/554515029.db2.gz ALDFRBRJKGRUHM-MHZLTWQESA-N 0 1 578.643 3.725 50 30 KHEAMN CCN1CCN(c2c(/C=C3\SC(=S)N(Cc4ccccc4Cl)C3=O)c(C)c(C#N)c(=O)n2C)CC1 ZINC000100912951 554518541 /nfs/dbraw/zinc/51/85/41/554518541.db2.gz SMYILMBKJSRGND-BKUYFWCQSA-N 0 1 528.103 3.762 50 30 KHEAMN C=CCN1C(=O)NC(=O)/C(=C/c2cc(I)c(OCc3ccccc3F)c(OC)c2)C1=O ZINC000100950009 554537046 /nfs/dbraw/zinc/53/70/46/554537046.db2.gz YAXNJCPUIQOHRJ-DHDCSXOGSA-N 0 1 536.297 3.666 50 30 KHEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccc(Br)cc1 ZINC000101072303 554576198 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/nfs/dbraw/zinc/57/61/93/554576193.db2.gz QDFFDZQDAVNJQG-SBXHHDGASA-N 0 1 551.441 3.697 50 30 KHEAMN C=CCN1C(=O)NC(=O)/C(=C/c2ccc(OCC(=O)Nc3cc(C)c(C)cc3Br)c(OC)c2)C1=O ZINC000101094996 554584200 /nfs/dbraw/zinc/58/42/00/554584200.db2.gz SGTBEPPEAMBVNQ-BOPFTXTBSA-N 0 1 542.386 3.740 50 30 KHEAMN O=C(c1cc2ccccc2o1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(Br)c1 ZINC000101101234 554588027 /nfs/dbraw/zinc/58/80/27/554588027.db2.gz YNBLEXPIAXTUJK-MOBKVPTQSA-N 0 1 511.372 3.949 50 30 KHEAMN O=C(c1cc2ccccc2o1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(Br)c1 ZINC000101101235 554588063 /nfs/dbraw/zinc/58/80/63/554588063.db2.gz YNBLEXPIAXTUJK-HOGKFDNTSA-N 0 1 511.372 3.949 50 30 KHEAMN Cc1c(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Br)c2)cnn1-c1ccccc1 ZINC000101101240 554588023 /nfs/dbraw/zinc/58/80/23/554588023.db2.gz FNVCXZZSKBEWIP-NXLSWJSLSA-N 0 1 551.441 3.697 50 30 KHEAMN Cc1c(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(Br)c2)cnn1-c1ccccc1 ZINC000101101241 554588060 /nfs/dbraw/zinc/58/80/60/554588060.db2.gz FNVCXZZSKBEWIP-SBXHHDGASA-N 0 1 551.441 3.697 50 30 KHEAMN C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 ZINC000101217374 554684850 /nfs/dbraw/zinc/68/48/50/554684850.db2.gz DCKDPMCNPVYFSH-UHFFFAOYSA-N 0 1 541.655 3.509 50 30 KHEAMN C=CCN1C2=C(C(=O)N([C@@H](CC(C)C)C(=O)N3CCCN(C)CC3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237209 554691693 /nfs/dbraw/zinc/69/16/93/554691693.db2.gz MXVFECJFWREHSS-URXFXBBRSA-N 0 1 547.622 3.633 50 30 KHEAMN C=CCN1C2=C(C(=O)N([C@H](CC(C)C)C(=O)N3CCCN(C)CC3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237212 554691727 /nfs/dbraw/zinc/69/17/27/554691727.db2.gz MXVFECJFWREHSS-QPPBQGQZSA-N 0 1 547.622 3.633 50 30 KHEAMN C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)N(CCCN2CCN(Cc3ccccc3)CC2)C1=S ZINC000101241465 554693367 /nfs/dbraw/zinc/69/33/67/554693367.db2.gz VKWFFADNUFENGG-VWLOTQADSA-N 0 1 540.133 3.860 50 30 KHEAMN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)N(CCCN2CCN(Cc3ccccc3)CC2)C1=S ZINC000101241468 554693421 /nfs/dbraw/zinc/69/34/21/554693421.db2.gz VKWFFADNUFENGG-RUZDIDTESA-N 0 1 540.133 3.860 50 30 KHEAMN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(C(=O)OC)cc2)nc1C ZINC000101277637 554703896 /nfs/dbraw/zinc/70/38/96/554703896.db2.gz TUJFAYMIRDJOGA-HOGKFDNTSA-N 0 1 576.583 3.978 50 30 KHEAMN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(C(=O)OC)cc2)nc1C ZINC000101277639 554703875 /nfs/dbraw/zinc/70/38/75/554703875.db2.gz TUJFAYMIRDJOGA-MOBKVPTQSA-N 0 1 576.583 3.978 50 30 KHEAMN N#Cc1c2c(sc1N1C(=O)[C@@H]3[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)N[C@]31C(=O)Nc3ccc(F)cc31)CCCC2 ZINC000101282031 554705414 /nfs/dbraw/zinc/70/54/14/554705414.db2.gz ODUJPUUVMPRVDH-JCBZJPABSA-N 0 1 542.592 3.511 50 30 KHEAMN N#Cc1c2c(sc1N1C(=O)[C@@H]3[C@H](C1=O)[C@H](Cc1ccc(O)cc1)N[C@]31C(=O)Nc3ccc(F)cc31)CCCC2 ZINC000101282038 554705428 /nfs/dbraw/zinc/70/54/28/554705428.db2.gz ODUJPUUVMPRVDH-XSKUOYIVSA-N 0 1 542.592 3.511 50 30 KHEAMN N#Cc1c2c(sc1N1C(=O)[C@@H]3[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)N[C@@]31C(=O)Nc3ccc(F)cc31)CCCC2 ZINC000101282046 554705470 /nfs/dbraw/zinc/70/54/70/554705470.db2.gz ODUJPUUVMPRVDH-IWHWMRIYSA-N 0 1 542.592 3.511 50 30 KHEAMN N#Cc1c2c(sc1N1C(=O)[C@@H]3[C@H](C1=O)[C@H](Cc1ccc(O)cc1)N[C@@]31C(=O)Nc3ccc(F)cc31)CCCC2 ZINC000101282055 554705491 /nfs/dbraw/zinc/70/54/91/554705491.db2.gz ODUJPUUVMPRVDH-PTCCMZDBSA-N 0 1 542.592 3.511 50 30 KHEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000101287119 554706422 /nfs/dbraw/zinc/70/64/22/554706422.db2.gz IZTVCFFCJZZNGF-NPJIAGGLSA-N 0 1 503.555 3.977 50 30 KHEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000101287124 554706449 /nfs/dbraw/zinc/70/64/49/554706449.db2.gz IZTVCFFCJZZNGF-IUKMQXEJSA-N 0 1 503.555 3.977 50 30 KHEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000101294095 554710638 /nfs/dbraw/zinc/71/06/38/554710638.db2.gz AURUTDIBVYSXNH-CZNAVJSXSA-N 0 1 506.599 3.794 50 30 KHEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000101294097 554710671 /nfs/dbraw/zinc/71/06/71/554710671.db2.gz AURUTDIBVYSXNH-CJJGVWJISA-N 0 1 506.599 3.794 50 30 KHEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000101294307 554711133 /nfs/dbraw/zinc/71/11/33/554711133.db2.gz MLFXDPIHOVZYGR-NPJIAGGLSA-N 0 1 501.539 3.731 50 30 KHEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000101294311 554711147 /nfs/dbraw/zinc/71/11/47/554711147.db2.gz MLFXDPIHOVZYGR-IUKMQXEJSA-N 0 1 501.539 3.731 50 30 KHEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000101310367 554717748 /nfs/dbraw/zinc/71/77/48/554717748.db2.gz RSCPUYHWBCGYLL-YREDKMEYSA-N 0 1 548.636 3.727 50 30 KHEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000101310370 554717944 /nfs/dbraw/zinc/71/79/44/554717944.db2.gz RSCPUYHWBCGYLL-YFVVEFNMSA-N 0 1 548.636 3.727 50 30 KHEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000101310371 554717785 /nfs/dbraw/zinc/71/77/85/554717785.db2.gz RSCPUYHWBCGYLL-FGEDTZIGSA-N 0 1 548.636 3.727 50 30 KHEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000101310373 554717990 /nfs/dbraw/zinc/71/79/90/554717990.db2.gz RSCPUYHWBCGYLL-LODGOHBISA-N 0 1 548.636 3.727 50 30 KHEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000101313460 554721916 /nfs/dbraw/zinc/72/19/16/554721916.db2.gz ZJGMFIWSZPTEKB-CZNAVJSXSA-N 0 1 506.599 3.793 50 30 KHEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000101313462 554721885 /nfs/dbraw/zinc/72/18/85/554721885.db2.gz ZJGMFIWSZPTEKB-CJJGVWJISA-N 0 1 506.599 3.793 50 30 KHEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000101313788 554722532 /nfs/dbraw/zinc/72/25/32/554722532.db2.gz KDJAVTGRXZVXHK-HGZLRSGXSA-N 0 1 518.610 3.719 50 30 KHEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000101313794 554722466 /nfs/dbraw/zinc/72/24/66/554722466.db2.gz KDJAVTGRXZVXHK-PMABHTPKSA-N 0 1 518.610 3.719 50 30 KHEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000101313797 554722456 /nfs/dbraw/zinc/72/24/56/554722456.db2.gz KDJAVTGRXZVXHK-MNEKTFPPSA-N 0 1 518.610 3.719 50 30 KHEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000101313800 554722430 /nfs/dbraw/zinc/72/24/30/554722430.db2.gz KDJAVTGRXZVXHK-VDLDRNGKSA-N 0 1 518.610 3.719 50 30 KHEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000101315213 554723000 /nfs/dbraw/zinc/72/30/00/554723000.db2.gz ZLBPBCOJRXMLMY-CZNAVJSXSA-N 0 1 506.599 3.794 50 30 KHEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000101315215 554723011 /nfs/dbraw/zinc/72/30/11/554723011.db2.gz ZLBPBCOJRXMLMY-CJJGVWJISA-N 0 1 506.599 3.794 50 30 KHEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000101337859 554734594 /nfs/dbraw/zinc/73/45/94/554734594.db2.gz OLUIVARSDPRMFW-AREMUKBSSA-N 0 1 563.632 3.662 50 30 KHEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000101337861 554734527 /nfs/dbraw/zinc/73/45/27/554734527.db2.gz OLUIVARSDPRMFW-SANMLTNESA-N 0 1 563.632 3.662 50 30 KHEAMN COc1cc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)C(=O)C(=O)N2CCCN2CCOCC2)cc(Br)c1O ZINC000101338171 554734642 /nfs/dbraw/zinc/73/46/42/554734642.db2.gz ZSYYRBUADXVXKV-JOCHJYFZSA-N 0 1 563.420 3.911 50 30 KHEAMN COc1cc([C@H]2C(C(=O)c3ccc(C)c(F)c3)C(=O)C(=O)N2CCCN2CCOCC2)cc(Br)c1O ZINC000101338177 554734686 /nfs/dbraw/zinc/73/46/86/554734686.db2.gz ZSYYRBUADXVXKV-QFIPXVFZSA-N 0 1 563.420 3.911 50 30 KHEAMN C#CCN1C(=O)[C@]2(CC(=O)Nc3c2c(C)nn3-c2ncnc3nc[nH]c32)c2cc(Cl)cc(Br)c21 ZINC000101409379 554763312 /nfs/dbraw/zinc/76/33/12/554763312.db2.gz CHLSBYYKMGWOTR-JOCHJYFZSA-N 0 1 537.765 3.521 50 30 KHEAMN C#CCN1C(=O)[C@@]2(CC(=O)Nc3c2c(C)nn3-c2ncnc3nc[nH]c32)c2cc(Cl)cc(Br)c21 ZINC000101409380 554763394 /nfs/dbraw/zinc/76/33/94/554763394.db2.gz CHLSBYYKMGWOTR-QFIPXVFZSA-N 0 1 537.765 3.521 50 30 KHEAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@]1(CC(=O)N2)c2cc(F)ccc2N(Cc2ccccc2C#N)C1=O ZINC000101410741 554763707 /nfs/dbraw/zinc/76/37/07/554763707.db2.gz NIFYWYUKJJZCGV-HHHXNRCGSA-N 0 1 519.500 3.682 50 30 KHEAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@]1(CC(=O)N2)c2cc(F)ccc2N(Cc2ccccc2C#N)C1=O ZINC000101410743 554763766 /nfs/dbraw/zinc/76/37/66/554763766.db2.gz NIFYWYUKJJZCGV-MHZLTWQESA-N 0 1 519.500 3.682 50 30 KHEAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@]1(CC(=O)N2)c2cc(F)ccc2N(Cc2ccc(C#N)cc2)C1=O ZINC000101411711 554763967 /nfs/dbraw/zinc/76/39/67/554763967.db2.gz PSLHZZVYXLCHEB-HHHXNRCGSA-N 0 1 519.500 3.682 50 30 KHEAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@]1(CC(=O)N2)c2cc(F)ccc2N(Cc2ccc(C#N)cc2)C1=O ZINC000101411714 554763955 /nfs/dbraw/zinc/76/39/55/554763955.db2.gz PSLHZZVYXLCHEB-MHZLTWQESA-N 0 1 519.500 3.682 50 30 KHEAMN C=CCn1cc(C(=O)NCCN(C)CCc2ccccc2)c(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc21 ZINC000101448645 554775121 /nfs/dbraw/zinc/77/51/21/554775121.db2.gz MXQLKWGQOMTPRY-UHFFFAOYSA-N 0 1 550.725 3.657 50 30 KHEAMN COc1cc(NS(=O)(=O)c2ccc(NC=CC(=O)c3ccc(Br)cc3)cc2)nc(OC)n1 ZINC000101468370 1066195713 /nfs/dbraw/zinc/19/57/13/1066195713.db2.gz PNGAUCNFVLKEPX-QXMHVHEDSA-N 0 1 519.377 3.866 50 30 KHEAMN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000102076867 554875191 /nfs/dbraw/zinc/87/51/91/554875191.db2.gz PARMEYZBCNTYCG-UUALVTFQSA-N 0 1 536.625 3.637 50 30 KHEAMN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000102076870 554875377 /nfs/dbraw/zinc/87/53/77/554875377.db2.gz PARMEYZBCNTYCG-ONQGDUAMSA-N 0 1 536.625 3.637 50 30 KHEAMN Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(O)cc1 ZINC000102169090 554890905 /nfs/dbraw/zinc/89/09/05/554890905.db2.gz AQHSUFQXOUMYOH-CZNAVJSXSA-N 0 1 508.615 3.879 50 30 KHEAMN Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(O)cc1 ZINC000102169093 554890970 /nfs/dbraw/zinc/89/09/70/554890970.db2.gz AQHSUFQXOUMYOH-CJJGVWJISA-N 0 1 508.615 3.879 50 30 KHEAMN Cc1cc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(O)cc2)ccc1OCC(C)C ZINC000102175383 554891956 /nfs/dbraw/zinc/89/19/56/554891956.db2.gz MSIMADLPHPERMN-CZNAVJSXSA-N 0 1 508.615 3.879 50 30 KHEAMN Cc1cc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(O)cc2)ccc1OCC(C)C ZINC000102175388 554891844 /nfs/dbraw/zinc/89/18/44/554891844.db2.gz MSIMADLPHPERMN-CJJGVWJISA-N 0 1 508.615 3.879 50 30 KHEAMN COc1ccc(CCNC(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCN(Cc3ccccc3)CC2)cc1OC ZINC000102184741 554893834 /nfs/dbraw/zinc/89/38/34/554893834.db2.gz NRAYUJAPMKPBOW-VWLOTQADSA-N 0 1 550.663 3.935 50 30 KHEAMN COc1ccc(CCNC(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCN(Cc3ccccc3)CC2)cc1OC ZINC000102184744 554893801 /nfs/dbraw/zinc/89/38/01/554893801.db2.gz NRAYUJAPMKPBOW-RUZDIDTESA-N 0 1 550.663 3.935 50 30 KHEAMN Cn1c2nc(NN=Cc3cc(Br)ccc3O)n(Cc3cccc4ccccc43)c2c(=O)n(C)c1=O ZINC000102269375 554905666 /nfs/dbraw/zinc/90/56/66/554905666.db2.gz ODBIGPWNMPINOJ-UVHMKAGCSA-N 0 1 533.386 3.549 50 30 KHEAMN COc1ccc(CN2CCN(c3nc4ccccc4nc3C(C#N)C(=O)NCCc3ccccc3)CC2)cc1OC ZINC000102446564 554930791 /nfs/dbraw/zinc/93/07/91/554930791.db2.gz IQNPQHXDYGHFCE-RUZDIDTESA-N 0 1 550.663 3.935 50 30 KHEAMN COc1ccc(CN2CCN(c3nc4ccccc4nc3C(C#N)C(=O)NCCc3ccccc3)CC2)cc1OC ZINC000102446569 554930746 /nfs/dbraw/zinc/93/07/46/554930746.db2.gz IQNPQHXDYGHFCE-VWLOTQADSA-N 0 1 550.663 3.935 50 30 KHEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Br)cc2)c1C ZINC000102483766 554937657 /nfs/dbraw/zinc/93/76/57/554937657.db2.gz UJYDYCJMVAQVLR-ASBZNUFUSA-N 0 1 518.408 3.554 50 30 KHEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Br)cc2)c1C ZINC000102483775 554937669 /nfs/dbraw/zinc/93/76/69/554937669.db2.gz UJYDYCJMVAQVLR-QOJBNDRUSA-N 0 1 518.408 3.554 50 30 KHEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000102488837 554938866 /nfs/dbraw/zinc/93/88/66/554938866.db2.gz SGKUPVMMFKYDAJ-CJJGVWJISA-N 0 1 524.614 3.637 50 30 KHEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000102488845 554938872 /nfs/dbraw/zinc/93/88/72/554938872.db2.gz SGKUPVMMFKYDAJ-CZNAVJSXSA-N 0 1 524.614 3.637 50 30 KHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1OC ZINC000102493227 554939616 /nfs/dbraw/zinc/93/96/16/554939616.db2.gz KPAWOVILLGHXGN-NPJIAGGLSA-N 0 1 508.615 3.755 50 30 KHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1OC ZINC000102493238 554939640 /nfs/dbraw/zinc/93/96/40/554939640.db2.gz KPAWOVILLGHXGN-IUKMQXEJSA-N 0 1 508.615 3.755 50 30 KHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Br)c2)cc1C ZINC000102498003 554941288 /nfs/dbraw/zinc/94/12/88/554941288.db2.gz XGAURGVYSYUXFO-AYWGPLOBSA-N 0 1 529.431 3.910 50 30 KHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Br)c2)cc1C ZINC000102498011 554941293 /nfs/dbraw/zinc/94/12/93/554941293.db2.gz XGAURGVYSYUXFO-ZHHPLPSFSA-N 0 1 529.431 3.910 50 30 KHEAMN COc1cc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2ccnc2)ccc1O ZINC000102498192 554941554 /nfs/dbraw/zinc/94/15/54/554941554.db2.gz JDGDNWLVPSJPMF-JBCNATCCSA-N 0 1 512.360 3.872 50 30 KHEAMN COc1cc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2ccnc2)ccc1O ZINC000102498201 554941589 /nfs/dbraw/zinc/94/15/89/554941589.db2.gz JDGDNWLVPSJPMF-MRJHHRETSA-N 0 1 512.360 3.872 50 30 KHEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Br)c2)c1C ZINC000102498577 554941610 /nfs/dbraw/zinc/94/16/10/554941610.db2.gz IKPYMVVOLCBJCU-ASBZNUFUSA-N 0 1 518.408 3.554 50 30 KHEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Br)c2)c1C ZINC000102498586 554941516 /nfs/dbraw/zinc/94/15/16/554941516.db2.gz IKPYMVVOLCBJCU-QOJBNDRUSA-N 0 1 518.408 3.554 50 30 KHEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1C ZINC000102499876 554942536 /nfs/dbraw/zinc/94/25/36/554942536.db2.gz MJRITGQMTZSHBC-HFEWCJDKSA-N 0 1 504.499 3.733 50 30 KHEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1C ZINC000102499883 554942463 /nfs/dbraw/zinc/94/24/63/554942463.db2.gz MJRITGQMTZSHBC-IAMBOQNYSA-N 0 1 504.499 3.733 50 30 KHEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000102501510 554943128 /nfs/dbraw/zinc/94/31/28/554943128.db2.gz YBZBFCXISWTIGM-SBXHHDGASA-N 0 1 515.006 3.891 50 30 KHEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000102501521 554943113 /nfs/dbraw/zinc/94/31/13/554943113.db2.gz YBZBFCXISWTIGM-NXLSWJSLSA-N 0 1 515.006 3.891 50 30 KHEAMN COc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2CCCN2CCOCC2)ccc1O ZINC000102502121 554943424 /nfs/dbraw/zinc/94/34/24/554943424.db2.gz BTIBIDJRYNUXIB-ONQGDUAMSA-N 0 1 538.641 3.888 50 30 KHEAMN COc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2CCCN2CCOCC2)ccc1O ZINC000102502129 554943461 /nfs/dbraw/zinc/94/34/61/554943461.db2.gz BTIBIDJRYNUXIB-UUALVTFQSA-N 0 1 538.641 3.888 50 30 KHEAMN COc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2CCN(C)C)cc(OC)c1OC ZINC000102504975 554944313 /nfs/dbraw/zinc/94/43/13/554944313.db2.gz LNPLYVIHCQPFDL-NXLSWJSLSA-N 0 1 512.603 3.791 50 30 KHEAMN COc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2CCN(C)C)cc(OC)c1OC ZINC000102504984 554944303 /nfs/dbraw/zinc/94/43/03/554944303.db2.gz LNPLYVIHCQPFDL-SBXHHDGASA-N 0 1 512.603 3.791 50 30 KHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000102507303 554944961 /nfs/dbraw/zinc/94/49/61/554944961.db2.gz DZFGETYPJFZCPK-AYWGPLOBSA-N 0 1 500.979 3.501 50 30 KHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000102507313 554944886 /nfs/dbraw/zinc/94/48/86/554944886.db2.gz DZFGETYPJFZCPK-ZHHPLPSFSA-N 0 1 500.979 3.501 50 30 KHEAMN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000102507460 554944833 /nfs/dbraw/zinc/94/48/33/554944833.db2.gz VGKXOPAUXWMWHN-IIHDFJPDSA-N 0 1 503.555 3.736 50 30 KHEAMN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000102507469 554944852 /nfs/dbraw/zinc/94/48/52/554944852.db2.gz VGKXOPAUXWMWHN-MWCANZRFSA-N 0 1 503.555 3.736 50 30 KHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102512237 554946740 /nfs/dbraw/zinc/94/67/40/554946740.db2.gz DIQBYWWVSKGIOA-MOBKVPTQSA-N 0 1 515.404 3.602 50 30 KHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102512249 554946782 /nfs/dbraw/zinc/94/67/82/554946782.db2.gz DIQBYWWVSKGIOA-HOGKFDNTSA-N 0 1 515.404 3.602 50 30 KHEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)cc(Br)c1O ZINC000102513459 554946974 /nfs/dbraw/zinc/94/69/74/554946974.db2.gz OCSFWWDTEHCJFO-SOIUSXPSSA-N 0 1 587.467 3.631 50 30 KHEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)cc(Br)c1O ZINC000102513468 554947066 /nfs/dbraw/zinc/94/70/66/554947066.db2.gz OCSFWWDTEHCJFO-CIKQMSCWSA-N 0 1 587.467 3.631 50 30 KHEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000102514815 554947579 /nfs/dbraw/zinc/94/75/79/554947579.db2.gz LQWSTLZAOATADQ-KXDYMIPJSA-N 0 1 536.625 3.561 50 30 KHEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000102514826 554947622 /nfs/dbraw/zinc/94/76/22/554947622.db2.gz LQWSTLZAOATADQ-ZLYDLHQSSA-N 0 1 536.625 3.561 50 30 KHEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000102526783 554952199 /nfs/dbraw/zinc/95/21/99/554952199.db2.gz PFWNBJLZWWCIRT-CJJGVWJISA-N 0 1 524.614 3.555 50 30 KHEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000102526791 554952124 /nfs/dbraw/zinc/95/21/24/554952124.db2.gz PFWNBJLZWWCIRT-CZNAVJSXSA-N 0 1 524.614 3.555 50 30 KHEAMN CCOc1ccc([C@@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102527791 554952881 /nfs/dbraw/zinc/95/28/81/554952881.db2.gz UOVJXGHUWJRMMM-COUQNMRISA-N 0 1 506.559 3.525 50 30 KHEAMN CCOc1ccc([C@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102527798 554952797 /nfs/dbraw/zinc/95/27/97/554952797.db2.gz UOVJXGHUWJRMMM-BUANBSPESA-N 0 1 506.559 3.525 50 30 KHEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000102528736 554953028 /nfs/dbraw/zinc/95/30/28/554953028.db2.gz MOADJYQNZZGAGN-CJJGVWJISA-N 0 1 524.614 3.637 50 30 KHEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000102528741 554953186 /nfs/dbraw/zinc/95/31/86/554953186.db2.gz MOADJYQNZZGAGN-CZNAVJSXSA-N 0 1 524.614 3.637 50 30 KHEAMN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(F)cc1 ZINC000102538259 554956550 /nfs/dbraw/zinc/95/65/50/554956550.db2.gz VOLGXOLWRYGLBX-JBCNATCCSA-N 0 1 503.368 3.732 50 30 KHEAMN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(F)cc1 ZINC000102538271 554956518 /nfs/dbraw/zinc/95/65/18/554956518.db2.gz VOLGXOLWRYGLBX-MRJHHRETSA-N 0 1 503.368 3.732 50 30 KHEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc([N+](=O)[O-])c2)c1C ZINC000102538569 554956495 /nfs/dbraw/zinc/95/64/95/554956495.db2.gz QOTMFSFQBPMQEW-HFEWCJDKSA-N 0 1 504.499 3.733 50 30 KHEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1C ZINC000102538576 554956582 /nfs/dbraw/zinc/95/65/82/554956582.db2.gz QOTMFSFQBPMQEW-IAMBOQNYSA-N 0 1 504.499 3.733 50 30 KHEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000102540480 554957326 /nfs/dbraw/zinc/95/73/26/554957326.db2.gz NNIJVOBZKTYXEV-YREDKMEYSA-N 0 1 550.652 3.951 50 30 KHEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000102540489 554957333 /nfs/dbraw/zinc/95/73/33/554957333.db2.gz NNIJVOBZKTYXEV-YFVVEFNMSA-N 0 1 550.652 3.951 50 30 KHEAMN Cc1c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Br)c2)cnn1-c1ccccc1 ZINC000102541243 554957421 /nfs/dbraw/zinc/95/74/21/554957421.db2.gz RYCGZARPNXFTOI-MOBKVPTQSA-N 0 1 509.404 3.927 50 30 KHEAMN Cc1c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Br)c2)cnn1-c1ccccc1 ZINC000102541247 554957406 /nfs/dbraw/zinc/95/74/06/554957406.db2.gz RYCGZARPNXFTOI-HOGKFDNTSA-N 0 1 509.404 3.927 50 30 KHEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000102546778 554959317 /nfs/dbraw/zinc/95/93/17/554959317.db2.gz AHWKKSJNTYQPGM-IUKMQXEJSA-N 0 1 536.606 3.797 50 30 KHEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000102546789 554959497 /nfs/dbraw/zinc/95/94/97/554959497.db2.gz AHWKKSJNTYQPGM-NPJIAGGLSA-N 0 1 536.606 3.797 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000102552131 554962564 /nfs/dbraw/zinc/96/25/64/554962564.db2.gz QRKCSEFXUHXNCE-SELCWUDQSA-N 0 1 509.496 3.781 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000102552141 554962536 /nfs/dbraw/zinc/96/25/36/554962536.db2.gz QRKCSEFXUHXNCE-GHNGSUTGSA-N 0 1 509.496 3.781 50 30 KHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000102554738 554963762 /nfs/dbraw/zinc/96/37/62/554963762.db2.gz AXOCQWXZFRNRQC-CGOGNACUSA-N 0 1 532.387 3.945 50 30 KHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000102554747 554963746 /nfs/dbraw/zinc/96/37/46/554963746.db2.gz AXOCQWXZFRNRQC-RQBWANKVSA-N 0 1 532.387 3.945 50 30 KHEAMN CCOc1cc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)[C@H](C(=O)OC)[C@H](C)C3)cc([N+](=O)[O-])c1O ZINC000102554811 554963821 /nfs/dbraw/zinc/96/38/21/554963821.db2.gz UBFGCJJWQOWZEC-WHIIXXIBSA-N 0 1 548.614 3.608 50 30 KHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000102558027 554965656 /nfs/dbraw/zinc/96/56/56/554965656.db2.gz JHAMTEKJSLDGDL-ZHHPLPSFSA-N 0 1 514.644 3.693 50 30 KHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000102558038 554965533 /nfs/dbraw/zinc/96/55/33/554965533.db2.gz JHAMTEKJSLDGDL-AYWGPLOBSA-N 0 1 514.644 3.693 50 30 KHEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)C(=O)C(=O)N2CCCOC)cc1 ZINC000102584214 554972758 /nfs/dbraw/zinc/97/27/58/554972758.db2.gz PNVMUMDZTGAOHY-RUZDIDTESA-N 0 1 542.654 3.897 50 30 KHEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)C(=O)C(=O)N2CCCOC)cc1 ZINC000102584219 554972845 /nfs/dbraw/zinc/97/28/45/554972845.db2.gz PNVMUMDZTGAOHY-VWLOTQADSA-N 0 1 542.654 3.897 50 30 KHEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)cc(OC)c1OC ZINC000102588643 554973560 /nfs/dbraw/zinc/97/35/60/554973560.db2.gz SCOCMPBPLMPDFM-WAUVLBAPSA-N 0 1 523.567 3.822 50 30 KHEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)cc(OC)c1OC ZINC000102588649 554973900 /nfs/dbraw/zinc/97/39/00/554973900.db2.gz SCOCMPBPLMPDFM-NSEAICKMSA-N 0 1 523.567 3.822 50 30 KHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000102594691 554975680 /nfs/dbraw/zinc/97/56/80/554975680.db2.gz GOSHHUMWJSUZEC-NHFXJNLRSA-N 0 1 527.426 3.702 50 30 KHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000102594695 554975711 /nfs/dbraw/zinc/97/57/11/554975711.db2.gz GOSHHUMWJSUZEC-YDJIHCHBSA-N 0 1 527.426 3.702 50 30 KHEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccncc2)cc(Br)c1O ZINC000102595653 554976605 /nfs/dbraw/zinc/97/66/05/554976605.db2.gz WWKDOCGGJYPFCF-HOGKFDNTSA-N 0 1 553.365 3.951 50 30 KHEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccncc2)cc(Br)c1O ZINC000102595658 554976539 /nfs/dbraw/zinc/97/65/39/554976539.db2.gz WWKDOCGGJYPFCF-MOBKVPTQSA-N 0 1 553.365 3.951 50 30 KHEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000102598132 554977460 /nfs/dbraw/zinc/97/74/60/554977460.db2.gz PEZWQVLDSOKLOD-JBCNATCCSA-N 0 1 534.546 3.838 50 30 KHEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000102598134 554977452 /nfs/dbraw/zinc/97/74/52/554977452.db2.gz PEZWQVLDSOKLOD-MRJHHRETSA-N 0 1 534.546 3.838 50 30 KHEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000102615055 554984218 /nfs/dbraw/zinc/98/42/18/554984218.db2.gz CDHDNKNERJAYSY-WGGXKBPPSA-N 0 1 556.615 3.791 50 30 KHEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000102615063 554984350 /nfs/dbraw/zinc/98/43/50/554984350.db2.gz CDHDNKNERJAYSY-MIOXIQPJSA-N 0 1 556.615 3.791 50 30 KHEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)cc1OCC ZINC000102624140 554987779 /nfs/dbraw/zinc/98/77/79/554987779.db2.gz LFXUWQNTFHPYFW-NPJIAGGLSA-N 0 1 510.587 3.629 50 30 KHEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)cc1OCC ZINC000102624148 554987785 /nfs/dbraw/zinc/98/77/85/554987785.db2.gz LFXUWQNTFHPYFW-IUKMQXEJSA-N 0 1 510.587 3.629 50 30 KHEAMN COc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000102625087 554988002 /nfs/dbraw/zinc/98/80/02/554988002.db2.gz GKYIFUMKOPEISX-IUKMQXEJSA-N 0 1 512.578 3.766 50 30 KHEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000102625094 554988028 /nfs/dbraw/zinc/98/80/28/554988028.db2.gz GKYIFUMKOPEISX-NPJIAGGLSA-N 0 1 512.578 3.766 50 30 KHEAMN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000102645366 554991898 /nfs/dbraw/zinc/99/18/98/554991898.db2.gz VGKXOPAUXWMWHN-NEMSTITPSA-N 0 1 503.555 3.736 50 30 KHEAMN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000102645370 554991929 /nfs/dbraw/zinc/99/19/29/554991929.db2.gz VGKXOPAUXWMWHN-OTQMSCLFSA-N 0 1 503.555 3.736 50 30 KHEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000102645536 554992005 /nfs/dbraw/zinc/99/20/05/554992005.db2.gz LQWSTLZAOATADQ-NGAXIMOQSA-N 0 1 536.625 3.561 50 30 KHEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000102645539 554991992 /nfs/dbraw/zinc/99/19/92/554991992.db2.gz LQWSTLZAOATADQ-JLPDLQRYSA-N 0 1 536.625 3.561 50 30 KHEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)cc(Br)c1O ZINC000102645565 554991951 /nfs/dbraw/zinc/99/19/51/554991951.db2.gz OCSFWWDTEHCJFO-RPUIFAKWSA-N 0 1 587.467 3.631 50 30 KHEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)cc(Br)c1O ZINC000102645568 554992223 /nfs/dbraw/zinc/99/22/23/554992223.db2.gz OCSFWWDTEHCJFO-YMMFOPJESA-N 0 1 587.467 3.631 50 30 KHEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000102649987 554995352 /nfs/dbraw/zinc/99/53/52/554995352.db2.gz NNIJVOBZKTYXEV-FGEDTZIGSA-N 0 1 550.652 3.951 50 30 KHEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000102649989 554995283 /nfs/dbraw/zinc/99/52/83/554995283.db2.gz NNIJVOBZKTYXEV-LODGOHBISA-N 0 1 550.652 3.951 50 30 KHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000102653607 554997190 /nfs/dbraw/zinc/99/71/90/554997190.db2.gz AXOCQWXZFRNRQC-IWUDECAASA-N 0 1 532.387 3.945 50 30 KHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000102653608 554997130 /nfs/dbraw/zinc/99/71/30/554997130.db2.gz AXOCQWXZFRNRQC-HJFSGKHBSA-N 0 1 532.387 3.945 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccccc2F)nc1C ZINC000102654156 554997628 /nfs/dbraw/zinc/99/76/28/554997628.db2.gz JLLDFYRMMWFVJV-LFVOPCPISA-N 0 1 510.499 3.775 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccccc2F)nc1C ZINC000102654159 554997617 /nfs/dbraw/zinc/99/76/17/554997617.db2.gz JLLDFYRMMWFVJV-WOOAAIBNSA-N 0 1 510.499 3.775 50 30 KHEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)cc(OC)c1OC ZINC000102665050 555001471 /nfs/dbraw/zinc/00/14/71/555001471.db2.gz SCOCMPBPLMPDFM-HDTBSZCESA-N 0 1 523.567 3.822 50 30 KHEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)cc(OC)c1OC ZINC000102665053 555001490 /nfs/dbraw/zinc/00/14/90/555001490.db2.gz SCOCMPBPLMPDFM-HEWWQJFPSA-N 0 1 523.567 3.822 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2cc(OC)ccc2OC)nc1C ZINC000102691707 555008657 /nfs/dbraw/zinc/00/86/57/555008657.db2.gz NIMINMSPHOFTKG-YDJIHCHBSA-N 0 1 524.551 3.890 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2cc(OC)ccc2OC)nc1C ZINC000102691712 555008623 /nfs/dbraw/zinc/00/86/23/555008623.db2.gz NIMINMSPHOFTKG-NHFXJNLRSA-N 0 1 524.551 3.890 50 30 KHEAMN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN4CCOCC4)[C@H]3c3ccncc3)cc2)c1 ZINC000102695072 555010257 /nfs/dbraw/zinc/01/02/57/555010257.db2.gz XMSDENNNMRAGPD-ONQGDUAMSA-N 0 1 513.594 3.723 50 30 KHEAMN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN4CCOCC4)[C@@H]3c3ccncc3)cc2)c1 ZINC000102695079 555010279 /nfs/dbraw/zinc/01/02/79/555010279.db2.gz XMSDENNNMRAGPD-UUALVTFQSA-N 0 1 513.594 3.723 50 30 KHEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000102697003 555011644 /nfs/dbraw/zinc/01/16/44/555011644.db2.gz CROSXTPRTNGGPB-ZHHPLPSFSA-N 0 1 533.408 3.909 50 30 KHEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000102697011 555011630 /nfs/dbraw/zinc/01/16/30/555011630.db2.gz CROSXTPRTNGGPB-AYWGPLOBSA-N 0 1 533.408 3.909 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(O)c(OC)c2)nc1C ZINC000102699373 555012456 /nfs/dbraw/zinc/01/24/56/555012456.db2.gz AKNRMFWZTKVXEM-NHFXJNLRSA-N 0 1 524.551 3.896 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(O)c(OC)c2)nc1C ZINC000102699380 555012474 /nfs/dbraw/zinc/01/24/74/555012474.db2.gz AKNRMFWZTKVXEM-YDJIHCHBSA-N 0 1 524.551 3.896 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2cccc(OC)c2OC)nc1C ZINC000102701757 555013062 /nfs/dbraw/zinc/01/30/62/555013062.db2.gz IBBOQBJBKSIHLZ-LFVOPCPISA-N 0 1 524.551 3.890 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2cccc(OC)c2OC)nc1C ZINC000102701762 555013159 /nfs/dbraw/zinc/01/31/59/555013159.db2.gz IBBOQBJBKSIHLZ-WOOAAIBNSA-N 0 1 524.551 3.890 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102707008 555015083 /nfs/dbraw/zinc/01/50/83/555015083.db2.gz RLZNMNJPGBTIBB-YDJIHCHBSA-N 0 1 524.551 3.890 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102707013 555015372 /nfs/dbraw/zinc/01/53/72/555015372.db2.gz RLZNMNJPGBTIBB-NHFXJNLRSA-N 0 1 524.551 3.890 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000102712546 555016944 /nfs/dbraw/zinc/01/69/44/555016944.db2.gz IZRFCHSZJQMKHF-SELCWUDQSA-N 0 1 509.496 3.781 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000102712550 555017044 /nfs/dbraw/zinc/01/70/44/555017044.db2.gz IZRFCHSZJQMKHF-GHNGSUTGSA-N 0 1 509.496 3.781 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000102713255 555017587 /nfs/dbraw/zinc/01/75/87/555017587.db2.gz GUHXNMANVSENPC-SELCWUDQSA-N 0 1 509.496 3.781 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000102713256 555017711 /nfs/dbraw/zinc/01/77/11/555017711.db2.gz GUHXNMANVSENPC-GHNGSUTGSA-N 0 1 509.496 3.781 50 30 KHEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)C(=O)C(=O)N2CCN2CCOCC2)ccc1O ZINC000102713527 555017956 /nfs/dbraw/zinc/01/79/56/555017956.db2.gz VPYVUQNBHQRBBD-UUALVTFQSA-N 0 1 538.641 3.888 50 30 KHEAMN CCOc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)C(=O)C(=O)N2CCN2CCOCC2)ccc1O ZINC000102713528 555017977 /nfs/dbraw/zinc/01/79/77/555017977.db2.gz VPYVUQNBHQRBBD-ONQGDUAMSA-N 0 1 538.641 3.888 50 30 KHEAMN CCOc1cc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1O ZINC000102713593 555018056 /nfs/dbraw/zinc/01/80/56/555018056.db2.gz GTRYYARHVZPSTM-YDJIHCHBSA-N 0 1 524.551 3.977 50 30 KHEAMN CCOc1cc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1O ZINC000102713599 555017991 /nfs/dbraw/zinc/01/79/91/555017991.db2.gz GTRYYARHVZPSTM-NHFXJNLRSA-N 0 1 524.551 3.977 50 30 KHEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000102715297 555018660 /nfs/dbraw/zinc/01/86/60/555018660.db2.gz AABMFUVAHJMZJL-HOGKFDNTSA-N 0 1 510.499 3.652 50 30 KHEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000102715300 555018492 /nfs/dbraw/zinc/01/84/92/555018492.db2.gz AABMFUVAHJMZJL-MOBKVPTQSA-N 0 1 510.499 3.652 50 30 KHEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102715577 555018652 /nfs/dbraw/zinc/01/86/52/555018652.db2.gz YQOKMYURGNACJV-NPJIAGGLSA-N 0 1 503.555 3.955 50 30 KHEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102715580 555018646 /nfs/dbraw/zinc/01/86/46/555018646.db2.gz YQOKMYURGNACJV-IUKMQXEJSA-N 0 1 503.555 3.955 50 30 KHEAMN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN4CCOCC4)[C@H]3c3cccnc3)cc2)c1 ZINC000102719123 555019748 /nfs/dbraw/zinc/01/97/48/555019748.db2.gz LYGIRPHIGNXJFA-ONQGDUAMSA-N 0 1 513.594 3.723 50 30 KHEAMN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN4CCOCC4)[C@@H]3c3cccnc3)cc2)c1 ZINC000102719126 555019658 /nfs/dbraw/zinc/01/96/58/555019658.db2.gz LYGIRPHIGNXJFA-UUALVTFQSA-N 0 1 513.594 3.723 50 30 KHEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000102723400 555020694 /nfs/dbraw/zinc/02/06/94/555020694.db2.gz VEVHLNJAZBIWGN-SBXHHDGASA-N 0 1 518.522 3.501 50 30 KHEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000102723402 555020659 /nfs/dbraw/zinc/02/06/59/555020659.db2.gz VEVHLNJAZBIWGN-NXLSWJSLSA-N 0 1 518.522 3.501 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccc(C(=O)OC)cc2)nc1C ZINC000102731128 555023751 /nfs/dbraw/zinc/02/37/51/555023751.db2.gz UGOZAUKPDGRGJK-LFVOPCPISA-N 0 1 522.535 3.660 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccc(C(=O)OC)cc2)nc1C ZINC000102731131 555023839 /nfs/dbraw/zinc/02/38/39/555023839.db2.gz UGOZAUKPDGRGJK-WOOAAIBNSA-N 0 1 522.535 3.660 50 30 KHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Br)cc2)cc1C ZINC000102857924 555089209 /nfs/dbraw/zinc/08/92/09/555089209.db2.gz BFYJERRSTXGWDU-AYWGPLOBSA-N 0 1 529.431 3.910 50 30 KHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000102857928 555089235 /nfs/dbraw/zinc/08/92/35/555089235.db2.gz BFYJERRSTXGWDU-ZHHPLPSFSA-N 0 1 529.431 3.910 50 30 KHEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000102859442 555089762 /nfs/dbraw/zinc/08/97/62/555089762.db2.gz OEJDXPKDULBPBP-QKJBWNOYSA-N 0 1 537.657 3.860 50 30 KHEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000102859445 555089788 /nfs/dbraw/zinc/08/97/88/555089788.db2.gz OEJDXPKDULBPBP-KQAPWQHSSA-N 0 1 537.657 3.860 50 30 KHEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OCC)c(OCC)c2)cc1 ZINC000102859589 555090069 /nfs/dbraw/zinc/09/00/69/555090069.db2.gz ZLYHCKFKPYCAJG-CZNAVJSXSA-N 0 1 524.614 3.637 50 30 KHEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OCC)c(OCC)c2)cc1 ZINC000102859593 555090048 /nfs/dbraw/zinc/09/00/48/555090048.db2.gz ZLYHCKFKPYCAJG-CJJGVWJISA-N 0 1 524.614 3.637 50 30 KHEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OCCC)cc2)cc1 ZINC000102859734 555089966 /nfs/dbraw/zinc/08/99/66/555089966.db2.gz HYZBRAPWXKVFJB-CJJGVWJISA-N 0 1 506.599 3.794 50 30 KHEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OCCC)cc2)cc1 ZINC000102859738 555089943 /nfs/dbraw/zinc/08/99/43/555089943.db2.gz HYZBRAPWXKVFJB-CZNAVJSXSA-N 0 1 506.599 3.794 50 30 KHEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)cc1OC ZINC000102860441 555090634 /nfs/dbraw/zinc/09/06/34/555090634.db2.gz YRIFNPGSKHRTKZ-NPJIAGGLSA-N 0 1 502.523 3.882 50 30 KHEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)cc1OC ZINC000102860443 555090552 /nfs/dbraw/zinc/09/05/52/555090552.db2.gz YRIFNPGSKHRTKZ-IUKMQXEJSA-N 0 1 502.523 3.882 50 30 KHEAMN COc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)C(=O)C(=O)N2CCCN2CCOCC2)ccc1O ZINC000102862099 555092037 /nfs/dbraw/zinc/09/20/37/555092037.db2.gz HTJYECOWUBYCDO-ONQGDUAMSA-N 0 1 538.641 3.888 50 30 KHEAMN COc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)C(=O)C(=O)N2CCCN2CCOCC2)ccc1O ZINC000102862104 555091937 /nfs/dbraw/zinc/09/19/37/555091937.db2.gz HTJYECOWUBYCDO-UUALVTFQSA-N 0 1 538.641 3.888 50 30 KHEAMN Cc1c(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)cnn1-c1ccccc1 ZINC000102862370 555092275 /nfs/dbraw/zinc/09/22/75/555092275.db2.gz AIEQVXNGDOPABJ-NXLSWJSLSA-N 0 1 506.990 3.588 50 30 KHEAMN Cc1c(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(Cl)cc2)cnn1-c1ccccc1 ZINC000102862373 555092195 /nfs/dbraw/zinc/09/21/95/555092195.db2.gz AIEQVXNGDOPABJ-SBXHHDGASA-N 0 1 506.990 3.588 50 30 KHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1OC ZINC000102862523 555092576 /nfs/dbraw/zinc/09/25/76/555092576.db2.gz JKUFCWGMZYBJNZ-MOBKVPTQSA-N 0 1 521.397 3.765 50 30 KHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1OC ZINC000102862525 555092509 /nfs/dbraw/zinc/09/25/09/555092509.db2.gz JKUFCWGMZYBJNZ-HOGKFDNTSA-N 0 1 521.397 3.765 50 30 KHEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000102862887 555092580 /nfs/dbraw/zinc/09/25/80/555092580.db2.gz WJUMPKKZUVRZHG-CJJGVWJISA-N 0 1 524.614 3.555 50 30 KHEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000102862892 555092546 /nfs/dbraw/zinc/09/25/46/555092546.db2.gz WJUMPKKZUVRZHG-CZNAVJSXSA-N 0 1 524.614 3.555 50 30 KHEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000102864708 555094181 /nfs/dbraw/zinc/09/41/81/555094181.db2.gz XPDFWEGCDRGBHZ-CZNAVJSXSA-N 0 1 506.599 3.794 50 30 KHEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000102864710 555094127 /nfs/dbraw/zinc/09/41/27/555094127.db2.gz XPDFWEGCDRGBHZ-CJJGVWJISA-N 0 1 506.599 3.794 50 30 KHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Br)c2)c(C)c1 ZINC000102864812 555094477 /nfs/dbraw/zinc/09/44/77/555094477.db2.gz ASVFNERXXMBKLU-AYWGPLOBSA-N 0 1 529.431 3.910 50 30 KHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Br)c2)c(C)c1 ZINC000102864814 555094496 /nfs/dbraw/zinc/09/44/96/555094496.db2.gz ASVFNERXXMBKLU-ZHHPLPSFSA-N 0 1 529.431 3.910 50 30 KHEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cc(OC)c(OC)c(OC)c2)c1C ZINC000102866640 555096078 /nfs/dbraw/zinc/09/60/78/555096078.db2.gz KBOVAYYHYNTLQC-UVDRRRQGSA-N 0 1 549.580 3.851 50 30 KHEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c1C ZINC000102866642 555096015 /nfs/dbraw/zinc/09/60/15/555096015.db2.gz KBOVAYYHYNTLQC-ZZIWUOEGSA-N 0 1 549.580 3.851 50 30 KHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1cccc(Cl)c1 ZINC000102867011 555096398 /nfs/dbraw/zinc/09/63/98/555096398.db2.gz NWORHYHDBVYCLO-ZHHPLPSFSA-N 0 1 533.046 3.973 50 30 KHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000102867015 555096452 /nfs/dbraw/zinc/09/64/52/555096452.db2.gz NWORHYHDBVYCLO-AYWGPLOBSA-N 0 1 533.046 3.973 50 30 KHEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1cccc(Cl)c1 ZINC000102867084 555096622 /nfs/dbraw/zinc/09/66/22/555096622.db2.gz YKNJBCAHWMDTLH-HOGKFDNTSA-N 0 1 519.019 3.583 50 30 KHEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000102867089 555096643 /nfs/dbraw/zinc/09/66/43/555096643.db2.gz YKNJBCAHWMDTLH-MOBKVPTQSA-N 0 1 519.019 3.583 50 30 KHEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)C)cc2)c1C ZINC000102876025 555105820 /nfs/dbraw/zinc/10/58/20/555105820.db2.gz AKHWSGGLKIZTLS-QKJBWNOYSA-N 0 1 523.630 3.686 50 30 KHEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C(C)C)cc2)c1C ZINC000102876028 555105972 /nfs/dbraw/zinc/10/59/72/555105972.db2.gz AKHWSGGLKIZTLS-KQAPWQHSSA-N 0 1 523.630 3.686 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(O)c(OC)c2)nc1C ZINC000102876763 555106345 /nfs/dbraw/zinc/10/63/45/555106345.db2.gz RZPRCWXFLXIPFH-NHFXJNLRSA-N 0 1 524.551 3.896 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(O)c(OC)c2)nc1C ZINC000102876766 555106665 /nfs/dbraw/zinc/10/66/65/555106665.db2.gz RZPRCWXFLXIPFH-YDJIHCHBSA-N 0 1 524.551 3.896 50 30 KHEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000102878348 555107628 /nfs/dbraw/zinc/10/76/28/555107628.db2.gz VMRSGNWCMRUIAF-YREDKMEYSA-N 0 1 550.652 3.951 50 30 KHEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000102878352 555107488 /nfs/dbraw/zinc/10/74/88/555107488.db2.gz VMRSGNWCMRUIAF-YFVVEFNMSA-N 0 1 550.652 3.951 50 30 KHEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000102878355 555107537 /nfs/dbraw/zinc/10/75/37/555107537.db2.gz VMRSGNWCMRUIAF-FGEDTZIGSA-N 0 1 550.652 3.951 50 30 KHEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000102878357 555107525 /nfs/dbraw/zinc/10/75/25/555107525.db2.gz VMRSGNWCMRUIAF-LODGOHBISA-N 0 1 550.652 3.951 50 30 KHEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)c1C ZINC000102878495 555107747 /nfs/dbraw/zinc/10/77/47/555107747.db2.gz UWRIOSFSBNZYFE-BUANBSPESA-N 0 1 530.021 3.606 50 30 KHEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)cc2)c1C ZINC000102878498 555107807 /nfs/dbraw/zinc/10/78/07/555107807.db2.gz UWRIOSFSBNZYFE-COUQNMRISA-N 0 1 530.021 3.606 50 30 KHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Cl)c2)cc1OC ZINC000102879049 555108191 /nfs/dbraw/zinc/10/81/91/555108191.db2.gz NRIPXEPUXLFKPW-AYWGPLOBSA-N 0 1 500.979 3.501 50 30 KHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Cl)c2)cc1OC ZINC000102879052 555108108 /nfs/dbraw/zinc/10/81/08/555108108.db2.gz NRIPXEPUXLFKPW-ZHHPLPSFSA-N 0 1 500.979 3.501 50 30 KHEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)C(=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102879446 555108741 /nfs/dbraw/zinc/10/87/41/555108741.db2.gz FGOLBNPHDCGNKK-ZHHPLPSFSA-N 0 1 500.979 3.501 50 30 KHEAMN COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)C(=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102879450 555108807 /nfs/dbraw/zinc/10/88/07/555108807.db2.gz FGOLBNPHDCGNKK-AYWGPLOBSA-N 0 1 500.979 3.501 50 30 KHEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1Cl ZINC000102880034 555109008 /nfs/dbraw/zinc/10/90/08/555109008.db2.gz FLSAEHRKCCBVJV-MOBKVPTQSA-N 0 1 518.994 3.748 50 30 KHEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1Cl ZINC000102880036 555108951 /nfs/dbraw/zinc/10/89/51/555108951.db2.gz FLSAEHRKCCBVJV-HOGKFDNTSA-N 0 1 518.994 3.748 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000102880265 555109324 /nfs/dbraw/zinc/10/93/24/555109324.db2.gz OMGGICJFXPFVJP-SELCWUDQSA-N 0 1 509.496 3.781 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000102880268 555109302 /nfs/dbraw/zinc/10/93/02/555109302.db2.gz OMGGICJFXPFVJP-GHNGSUTGSA-N 0 1 509.496 3.781 50 30 KHEAMN COc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)C(=O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC ZINC000102880483 555109255 /nfs/dbraw/zinc/10/92/55/555109255.db2.gz VIHHGGHMLZVAMI-CZNAVJSXSA-N 0 1 554.640 3.562 50 30 KHEAMN COc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)C(=O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC ZINC000102880486 555109361 /nfs/dbraw/zinc/10/93/61/555109361.db2.gz VIHHGGHMLZVAMI-CJJGVWJISA-N 0 1 554.640 3.562 50 30 KHEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(OC)c(OC)c2)c1C ZINC000102880779 555109569 /nfs/dbraw/zinc/10/95/69/555109569.db2.gz AXOIMWUTNUXZKW-UVDRRRQGSA-N 0 1 536.585 3.534 50 30 KHEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(OC)c(OC)c2)c1C ZINC000102880783 555109493 /nfs/dbraw/zinc/10/94/93/555109493.db2.gz AXOIMWUTNUXZKW-ZZIWUOEGSA-N 0 1 536.585 3.534 50 30 KHEAMN Cc1c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Br)cc2)cnn1-c1ccccc1 ZINC000102881333 555110133 /nfs/dbraw/zinc/11/01/33/555110133.db2.gz JYVJOTXMMAOSFR-MOBKVPTQSA-N 0 1 509.404 3.927 50 30 KHEAMN Cc1c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Br)cc2)cnn1-c1ccccc1 ZINC000102881334 555110243 /nfs/dbraw/zinc/11/02/43/555110243.db2.gz JYVJOTXMMAOSFR-HOGKFDNTSA-N 0 1 509.404 3.927 50 30 KHEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccc(Br)c2)c1C ZINC000102882504 555110785 /nfs/dbraw/zinc/11/07/85/555110785.db2.gz KTQLDRCVWSBBEP-PGVNHDJNSA-N 0 1 541.402 3.889 50 30 KHEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccc(Br)c2)c1C ZINC000102882507 555110812 /nfs/dbraw/zinc/11/08/12/555110812.db2.gz KTQLDRCVWSBBEP-OBVHCKHUSA-N 0 1 541.402 3.889 50 30 KHEAMN Cc1c(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Cl)c2)cnn1-c1ccccc1 ZINC000102882839 555111071 /nfs/dbraw/zinc/11/10/71/555111071.db2.gz FRCHBTZTXLNFTN-NXLSWJSLSA-N 0 1 506.990 3.588 50 30 KHEAMN Cc1c(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(Cl)c2)cnn1-c1ccccc1 ZINC000102882841 555111022 /nfs/dbraw/zinc/11/10/22/555111022.db2.gz FRCHBTZTXLNFTN-SBXHHDGASA-N 0 1 506.990 3.588 50 30 KHEAMN COc1cccc2cc(C(=O)C3C(=O)C(=O)N(CCN4CCOCC4)[C@H]3c3cccc(Br)c3)oc21 ZINC000102883565 555112120 /nfs/dbraw/zinc/11/21/20/555112120.db2.gz DKJJJOVFXWFULQ-MOBKVPTQSA-N 0 1 541.398 3.958 50 30 KHEAMN COc1cccc2cc(C(=O)C3C(=O)C(=O)N(CCN4CCOCC4)[C@@H]3c3cccc(Br)c3)oc21 ZINC000102883567 555112021 /nfs/dbraw/zinc/11/20/21/555112021.db2.gz DKJJJOVFXWFULQ-HOGKFDNTSA-N 0 1 541.398 3.958 50 30 KHEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)cc(Br)c1O ZINC000102884246 555113185 /nfs/dbraw/zinc/11/31/85/555113185.db2.gz LRWUKDOIEZNQCY-HOGKFDNTSA-N 0 1 553.365 3.951 50 30 KHEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)cc(Br)c1O ZINC000102884247 555113214 /nfs/dbraw/zinc/11/32/14/555113214.db2.gz LRWUKDOIEZNQCY-MOBKVPTQSA-N 0 1 553.365 3.951 50 30 KHEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)c(OC)c1 ZINC000102884690 555114178 /nfs/dbraw/zinc/11/41/78/555114178.db2.gz GPJOIJUEJFZFRN-HOGKFDNTSA-N 0 1 528.970 3.631 50 30 KHEAMN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)c(OC)c1 ZINC000102884691 555114166 /nfs/dbraw/zinc/11/41/66/555114166.db2.gz GPJOIJUEJFZFRN-MOBKVPTQSA-N 0 1 528.970 3.631 50 30 KHEAMN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000102884748 555114509 /nfs/dbraw/zinc/11/45/09/555114509.db2.gz RTECBGFGNVUJTG-UUALVTFQSA-N 0 1 536.625 3.781 50 30 KHEAMN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000102884750 555114515 /nfs/dbraw/zinc/11/45/15/555114515.db2.gz RTECBGFGNVUJTG-ONQGDUAMSA-N 0 1 536.625 3.781 50 30 KHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000102885494 555115512 /nfs/dbraw/zinc/11/55/12/555115512.db2.gz WGDURFPQVAYDTB-ZHHPLPSFSA-N 0 1 500.617 3.519 50 30 KHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000102885498 555115576 /nfs/dbraw/zinc/11/55/76/555115576.db2.gz WGDURFPQVAYDTB-AYWGPLOBSA-N 0 1 500.617 3.519 50 30 KHEAMN NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102885921 555116130 /nfs/dbraw/zinc/11/61/30/555116130.db2.gz XNDUOACYUAOEHX-YDJIHCHBSA-N 0 1 513.915 3.522 50 30 KHEAMN NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102885923 555116043 /nfs/dbraw/zinc/11/60/43/555116043.db2.gz XNDUOACYUAOEHX-NHFXJNLRSA-N 0 1 513.915 3.522 50 30 KHEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(C(=O)OC)cc2)nc1C ZINC000102887990 555120429 /nfs/dbraw/zinc/12/04/29/555120429.db2.gz SJKQZRABJSVNBU-JBCNATCCSA-N 0 1 564.572 3.812 50 30 KHEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(C(=O)OC)cc2)nc1C ZINC000102887992 555120439 /nfs/dbraw/zinc/12/04/39/555120439.db2.gz SJKQZRABJSVNBU-MRJHHRETSA-N 0 1 564.572 3.812 50 30 KHEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1OC ZINC000102888655 555121823 /nfs/dbraw/zinc/12/18/23/555121823.db2.gz MNPCYYGYULXGOJ-HOGKFDNTSA-N 0 1 528.970 3.631 50 30 KHEAMN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1OC ZINC000102888657 555121737 /nfs/dbraw/zinc/12/17/37/555121737.db2.gz MNPCYYGYULXGOJ-MOBKVPTQSA-N 0 1 528.970 3.631 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(C(=O)OC)cc2)nc1C ZINC000102891177 555126904 /nfs/dbraw/zinc/12/69/04/555126904.db2.gz PWRVPXHKKHTDKJ-HJFSGKHBSA-N 0 1 548.573 3.974 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(C(=O)OC)cc2)nc1C ZINC000102891180 555126897 /nfs/dbraw/zinc/12/68/97/555126897.db2.gz PWRVPXHKKHTDKJ-RQBWANKVSA-N 0 1 548.573 3.974 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(C(=O)OC)cc2)nc1C ZINC000102891182 555126817 /nfs/dbraw/zinc/12/68/17/555126817.db2.gz PWRVPXHKKHTDKJ-IWUDECAASA-N 0 1 548.573 3.974 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(C(=O)OC)cc2)nc1C ZINC000102891184 555126852 /nfs/dbraw/zinc/12/68/52/555126852.db2.gz PWRVPXHKKHTDKJ-CGOGNACUSA-N 0 1 548.573 3.974 50 30 KHEAMN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3)=C(O)C(=O)N2CCN(C)C)ccc1O ZINC000102892753 555129253 /nfs/dbraw/zinc/12/92/53/555129253.db2.gz YNMIBAWZTRFWBG-CJJGVWJISA-N 0 1 502.567 3.963 50 30 KHEAMN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3)=C(O)C(=O)N2CCN(C)C)ccc1O ZINC000102892754 555129301 /nfs/dbraw/zinc/12/93/01/555129301.db2.gz YNMIBAWZTRFWBG-CZNAVJSXSA-N 0 1 502.567 3.963 50 30 KHEAMN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000102893036 555129800 /nfs/dbraw/zinc/12/98/00/555129800.db2.gz OREWEKAAGKHTBG-DFXXOVSGSA-N 0 1 566.651 3.789 50 30 KHEAMN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000102893038 555129857 /nfs/dbraw/zinc/12/98/57/555129857.db2.gz OREWEKAAGKHTBG-TXTDGAROSA-N 0 1 566.651 3.789 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OC)cc2)nc1C ZINC000102894790 555132940 /nfs/dbraw/zinc/13/29/40/555132940.db2.gz JPJYKEIPYNLWRM-YDJIHCHBSA-N 0 1 522.535 3.644 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000102894792 555132846 /nfs/dbraw/zinc/13/28/46/555132846.db2.gz JPJYKEIPYNLWRM-NHFXJNLRSA-N 0 1 522.535 3.644 50 30 KHEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000102895430 555134422 /nfs/dbraw/zinc/13/44/22/555134422.db2.gz QKOGREZJLPCIKY-UHABRVIFSA-N 0 1 518.360 3.555 50 30 KHEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000102895433 555134414 /nfs/dbraw/zinc/13/44/14/555134414.db2.gz QKOGREZJLPCIKY-RTDSZZKTSA-N 0 1 518.360 3.555 50 30 KHEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000102895435 555134257 /nfs/dbraw/zinc/13/42/57/555134257.db2.gz QKOGREZJLPCIKY-XKACAACRSA-N 0 1 518.360 3.555 50 30 KHEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000102895437 555134349 /nfs/dbraw/zinc/13/43/49/555134349.db2.gz QKOGREZJLPCIKY-MJIMAAISSA-N 0 1 518.360 3.555 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccc(O)c(OC)c2)nc1C ZINC000102896098 555135785 /nfs/dbraw/zinc/13/57/85/555135785.db2.gz WOXSEPRDQPKXMR-LFVOPCPISA-N 0 1 510.524 3.587 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccc(O)c(OC)c2)nc1C ZINC000102896100 555135735 /nfs/dbraw/zinc/13/57/35/555135735.db2.gz WOXSEPRDQPKXMR-WOOAAIBNSA-N 0 1 510.524 3.587 50 30 KHEAMN CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)OCC(=O)N(CCC#N)c3ccccc3)c2)cc1 ZINC000102924608 555148890 /nfs/dbraw/zinc/14/88/90/555148890.db2.gz BZNMWXBOEMCBOQ-UHFFFAOYSA-N 0 1 576.052 3.648 50 30 KHEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000102925710 555149892 /nfs/dbraw/zinc/14/98/92/555149892.db2.gz MJLGYFPJCWQNOV-SBXHHDGASA-N 0 1 515.006 3.891 50 30 KHEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000102925713 555149845 /nfs/dbraw/zinc/14/98/45/555149845.db2.gz MJLGYFPJCWQNOV-NXLSWJSLSA-N 0 1 515.006 3.891 50 30 KHEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Br)c2)c1 ZINC000102926736 555151542 /nfs/dbraw/zinc/15/15/42/555151542.db2.gz DGIQNFCXZGWKMS-MOBKVPTQSA-N 0 1 515.404 3.602 50 30 KHEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Br)c2)c1 ZINC000102926737 555151486 /nfs/dbraw/zinc/15/14/86/555151486.db2.gz DGIQNFCXZGWKMS-HOGKFDNTSA-N 0 1 515.404 3.602 50 30 KHEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102927110 555151741 /nfs/dbraw/zinc/15/17/41/555151741.db2.gz IUWYKFJYTWUPKQ-VDLDRNGKSA-N 0 1 520.626 3.943 50 30 KHEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102927113 555151683 /nfs/dbraw/zinc/15/16/83/555151683.db2.gz IUWYKFJYTWUPKQ-PMABHTPKSA-N 0 1 520.626 3.943 50 30 KHEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102927117 555151649 /nfs/dbraw/zinc/15/16/49/555151649.db2.gz IUWYKFJYTWUPKQ-MNEKTFPPSA-N 0 1 520.626 3.943 50 30 KHEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102927122 555151978 /nfs/dbraw/zinc/15/19/78/555151978.db2.gz IUWYKFJYTWUPKQ-HGZLRSGXSA-N 0 1 520.626 3.943 50 30 KHEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(OC)cc2)c1C ZINC000102927277 555151903 /nfs/dbraw/zinc/15/19/03/555151903.db2.gz GJFURLBVPPEKFT-BUANBSPESA-N 0 1 506.559 3.525 50 30 KHEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(OC)cc2)c1C ZINC000102927282 555151962 /nfs/dbraw/zinc/15/19/62/555151962.db2.gz GJFURLBVPPEKFT-COUQNMRISA-N 0 1 506.559 3.525 50 30 KHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Br)cc2)c(C)c1 ZINC000102927964 555152907 /nfs/dbraw/zinc/15/29/07/555152907.db2.gz BYDGMONZBDYZRC-AYWGPLOBSA-N 0 1 529.431 3.910 50 30 KHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Br)cc2)c(C)c1 ZINC000102927967 555152825 /nfs/dbraw/zinc/15/28/25/555152825.db2.gz BYDGMONZBDYZRC-ZHHPLPSFSA-N 0 1 529.431 3.910 50 30 KHEAMN COc1cccc2cc(C(=O)C3C(=O)C(=O)N(CCN4CCOCC4)[C@H]3c3ccc(Br)cc3)oc21 ZINC000102928678 555154461 /nfs/dbraw/zinc/15/44/61/555154461.db2.gz IYQVKWHLTONWTH-MOBKVPTQSA-N 0 1 541.398 3.958 50 30 KHEAMN COc1cccc2cc(C(=O)C3C(=O)C(=O)N(CCN4CCOCC4)[C@@H]3c3ccc(Br)cc3)oc21 ZINC000102928680 555154465 /nfs/dbraw/zinc/15/44/65/555154465.db2.gz IYQVKWHLTONWTH-HOGKFDNTSA-N 0 1 541.398 3.958 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102929112 555154850 /nfs/dbraw/zinc/15/48/50/555154850.db2.gz BUQVBYMFXDADEU-GROYHEBESA-N 0 1 500.554 3.943 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102929113 555154857 /nfs/dbraw/zinc/15/48/57/555154857.db2.gz BUQVBYMFXDADEU-HVESIFNPSA-N 0 1 500.554 3.943 50 30 KHEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(Br)cc2)c1C ZINC000102929567 555155485 /nfs/dbraw/zinc/15/54/85/555155485.db2.gz JLWWOKAQUDOWBU-PGVNHDJNSA-N 0 1 541.402 3.889 50 30 KHEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(Br)cc2)c1C ZINC000102929570 555155562 /nfs/dbraw/zinc/15/55/62/555155562.db2.gz JLWWOKAQUDOWBU-OBVHCKHUSA-N 0 1 541.402 3.889 50 30 KHEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Cl)c2)c1C ZINC000102930698 555157675 /nfs/dbraw/zinc/15/76/75/555157675.db2.gz KLOXJEPCPFNXET-BUANBSPESA-N 0 1 530.021 3.606 50 30 KHEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Cl)c2)c1C ZINC000102930700 555157607 /nfs/dbraw/zinc/15/76/07/555157607.db2.gz KLOXJEPCPFNXET-COUQNMRISA-N 0 1 530.021 3.606 50 30 KHEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000102931566 555159081 /nfs/dbraw/zinc/15/90/81/555159081.db2.gz GCJLSBCZYJGYOI-CZNAVJSXSA-N 0 1 524.614 3.637 50 30 KHEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000102931570 555159231 /nfs/dbraw/zinc/15/92/31/555159231.db2.gz GCJLSBCZYJGYOI-CJJGVWJISA-N 0 1 524.614 3.637 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc(OC)c2OC)nc1C ZINC000102931669 555159251 /nfs/dbraw/zinc/15/92/51/555159251.db2.gz LWIJWYMJJFJDDF-IBOXJLQUSA-N 0 1 500.554 3.943 50 30 KHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc(OC)c2OC)nc1C ZINC000102931671 555159223 /nfs/dbraw/zinc/15/92/23/555159223.db2.gz LWIJWYMJJFJDDF-UYTDBDHRSA-N 0 1 500.554 3.943 50 30 KHEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102932178 555159726 /nfs/dbraw/zinc/15/97/26/555159726.db2.gz LDQJFOAKGNOMSZ-CZNAVJSXSA-N 0 1 524.614 3.637 50 30 KHEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102932180 555159712 /nfs/dbraw/zinc/15/97/12/555159712.db2.gz LDQJFOAKGNOMSZ-CJJGVWJISA-N 0 1 524.614 3.637 50 30 KHEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Br)cc2)c1 ZINC000102932411 555159978 /nfs/dbraw/zinc/15/99/78/555159978.db2.gz ZNLHCJVFRZACFT-MOBKVPTQSA-N 0 1 515.404 3.602 50 30 KHEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Br)cc2)c1 ZINC000102932413 555159943 /nfs/dbraw/zinc/15/99/43/555159943.db2.gz ZNLHCJVFRZACFT-HOGKFDNTSA-N 0 1 515.404 3.602 50 30 KHEAMN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=C2C(=O)Nc3ccc(Br)cc32)cc1 ZINC000102983366 555189233 /nfs/dbraw/zinc/18/92/33/555189233.db2.gz WRPPAXCJDWBREX-UHFFFAOYSA-N 0 1 546.359 3.935 50 30 KHEAMN CCCCCCCCCC(=O)N1CCN(c2nc(CN3CCN(Cc4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000102998009 555197197 /nfs/dbraw/zinc/19/71/97/555197197.db2.gz IIRHAWZDNBALRL-UHFFFAOYSA-N 0 1 522.738 3.877 50 30 KHEAMN ON=C1c2cc(OCCN3CCOCC3)c(Br)cc2-c2cc(Br)c(OCCN3CCOCC3)cc21 ZINC000103555351 555445886 /nfs/dbraw/zinc/44/58/86/555445886.db2.gz AIYBBPVPRDSHMH-UHFFFAOYSA-N 0 1 611.331 3.841 50 30 KHEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000104219256 571377105 /nfs/dbraw/zinc/37/71/05/571377105.db2.gz 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